data_2lot_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 2lot _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 ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 1.0 110.609 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -134.32 -26.22 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.453 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.29 -40.23 0.71 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.769 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.7 Cg_exo -58.62 -37.04 96.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.311 2.007 . . . . 1.0 112.01 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.477 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -86.92 -38.84 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -37.65 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -75.08 -46.97 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 34.4 tp -50.21 -24.93 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.296 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -99.5 -11.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.438 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.0 t80 -89.38 -69.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.8 -24.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 2.1 mm? -60.16 -30.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.39 6.02 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 11.0 p -101.62 -139.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.8 m 56.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.1 54.43 0.53 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.826 -0.909 . . . . 1.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 1.0 110.566 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 1.0 110.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' TRP . 25.0 t -75.07 -75.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.75 -14.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -70.43 -51.29 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.533 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.4 t -61.79 -22.99 65.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' A' ' 55' ' ' ARG . 86.7 t -68.67 -53.85 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.679 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -79.29 20.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -122.14 -13.92 8.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.829 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 14.0 pttp -102.6 -41.03 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -89.75 37.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.959 0.409 . . . . 1.0 110.282 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 1.0 110.527 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.36 -78.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.527 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -83.23 -33.65 0.58 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.584 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.9 Cg_exo -58.79 -29.36 89.61 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.957 1.771 . . . . 1.0 111.966 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.85 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -87.47 -36.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -77.68 -29.19 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.52 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.13 14.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 36' ' ' MET . 82.1 t -139.06 -18.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.473 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -84.47 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.48 -16.57 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.584 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.35 -15.64 60.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.1 -48.22 2.09 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.8 t -149.8 -138.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 1.0 110.639 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 43' ' ' THR . 6.5 m 60.98 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -98.62 28.36 15.36 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 1.0 110.595 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.733 0.301 . . . . 1.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.44 -37.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.699 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.7 -44.78 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.594 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.78 -38.24 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 18.5 m -70.71 -54.58 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -48.21 -21.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.605 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.33 23.78 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.0 mtp180 -130.97 -56.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.558 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' GLY . 1.2 mtmt -48.15 -52.8 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.528 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -77.85 41.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.738 0.304 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.2 mt -110.79 -28.54 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -72.81 -40.46 6.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.2 Cg_exo -58.31 -25.9 74.72 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.349 2.033 . . . . 1.0 112.021 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.32 -36.49 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 21.7 mt -84.88 6.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.28 -30.78 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.4 mtt -90.33 -33.26 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.703 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 2.3 mm? -56.56 -5.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.603 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 48.8 t -111.97 -14.54 10.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.709 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.7 -74.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -35.42 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.686 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 37' ' ' LEU . 5.5 mp -47.05 -31.47 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.47 67.17 0.1 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.2 t -129.0 -35.59 1.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 1.0 110.554 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.05 -87.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.574 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.06 43.42 0.29 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 1.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' LEU . 24.0 tp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.862 0.363 . . . . 1.0 110.409 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -47.53 -20.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.499 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 48' ' ' LEU . 11.0 mp -91.1 -38.07 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -60.66 -32.4 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.614 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.8 t -81.59 -32.3 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.03 -56.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.614 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -65.24 -19.21 65.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -81.64 41.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.702 0.287 . . . . 1.0 110.56 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -114.13 -25.54 8.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.02 -34.03 0.72 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.491 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.4 Cg_exo -58.53 -25.87 76.14 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.882 1.722 . . . . 1.0 112.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.64 -35.15 65.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -85.86 -19.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.73 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.549 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 38' ' ' VAL . 21.5 mtt -78.95 -35.82 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.24 -7.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' MET . 2.8 t -130.37 21.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -126.9 -36.75 2.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.89 -24.63 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -87.04 -25.69 24.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.34 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.6 -24.39 56.29 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLY . 8.7 t -171.57 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 1.0 110.668 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' OG1' ' A' ' 43' ' ' THR . 3.8 m 62.61 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.61 17.62 49.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.564 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.798 0.332 . . . . 1.0 110.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -71.91 -25.39 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.07 4.46 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.505 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -89.77 -33.04 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.439 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -75.6 -30.05 59.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.43 -42.68 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -31.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.655 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -60.0 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -48.44 -51.97 24.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -72.89 62.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.643 0.259 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mt -116.42 -31.03 5.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -77.96 -40.23 1.95 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.836 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.4 Cg_exo -59.9 -53.18 3.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.33 2.02 . . . . 1.0 112.002 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.97 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.655 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mt -80.4 -28.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 1.0 110.102 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -74.36 -60.14 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.239 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.86 -26.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.113 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -56.04 25.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.11 -2.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.637 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 41' ' ' LEU . 40.6 t80 -84.92 -73.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.15 -7.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.3 mt -66.83 -37.11 83.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.77 51.82 0.29 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.477 ' OG1' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 t -101.39 -46.31 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 1.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.3 p -100.77 -56.32 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.95 -45.8 0.31 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.729 0.299 . . . . 1.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.86 0.362 . . . . 1.0 110.543 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.94 -54.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.509 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -41.59 -45.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.51 -36.67 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 17.6 m -79.84 -52.41 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -51.85 -25.3 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -89.59 -18.43 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.556 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -44.42 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -63.57 -46.51 85.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.593 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -77.92 55.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.746 0.307 . . . . 1.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.44 -82.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.77 -33.59 0.72 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.619 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.9 Cg_exo -57.91 -13.49 15.2 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.943 1.762 . . . . 1.0 112.01 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.56 -32.16 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.503 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -84.99 -17.97 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -73.23 -34.67 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mmt -80.49 -29.92 37.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.31 14.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 36' ' ' MET . 96.6 t -137.38 -18.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -85.57 -66.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -56.84 -13.59 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 -44.56 21.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.95 -35.7 49.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.717 -0.953 . . . . 1.0 110.717 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.6 t -169.58 -135.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.634 0.254 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.541 ' C ' ' H ' ' A' ' 46' ' ' ASN . 3.4 m 56.77 -74.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.193 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -74.65 22.68 1.36 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.521 -1.031 . . . . 1.0 110.521 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 1.0 109.876 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.4 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.774 0.321 . . . . 1.0 110.501 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -51.51 -9.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 48' ' ' LEU . 24.7 mt -96.9 -41.65 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.537 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -59.11 -11.24 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.642 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -101.43 -18.58 15.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.7 -18.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.498 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -102.78 0.42 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.589 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mmp_? -106.44 -49.71 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.48 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -50.06 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.491 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.08 41.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.528 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.26 -81.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.31 -33.72 0.77 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.551 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.9 Cg_exo -58.35 -35.49 98.64 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.852 1.701 . . . . 1.0 112.037 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.41 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.587 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -86.63 -42.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.463 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.73 -31.87 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.554 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mtt -88.82 -35.61 16.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.4 tp -55.64 -17.26 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.172 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.1 19.48 7.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.271 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 17.3 t80 -124.44 5.97 8.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -138.92 -30.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.786 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -41.34 -37.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.43 60.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -133.83 -60.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 1.0 110.732 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' OG1' ' A' ' 43' ' ' THR . 0.0 OUTLIER -78.77 -27.0 44.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.543 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . 135.94 -43.5 1.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 5.3 p30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 1.0 110.669 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -84.51 -30.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.515 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.74 -5.83 45.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.469 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.458 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -73.43 -45.52 53.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -64.62 -40.33 95.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.524 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.93 -36.4 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 39.9 t80 -78.98 -8.03 58.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -85.42 -63.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.523 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 5.5 pttp -51.58 -40.03 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 9.0 mttm -75.44 69.27 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.712 0.292 . . . . 1.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.48 -27.98 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.37 -33.5 0.53 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.679 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.2 Cg_exo -57.28 -30.18 86.62 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.977 1.785 . . . . 1.0 111.956 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.12 84.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 8.4 mt -84.87 -5.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.512 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.49 ' C ' ' H ' ' A' ' 37' ' ' LEU . 5.0 t80 -88.05 -56.77 3.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.553 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 10.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.457 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 35' ' ' TYR . 2.1 mm? -104.67 6.66 34.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.893 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -136.55 -21.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -73.49 -39.39 64.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.57 -49.77 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.35 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.28 -50.99 20.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.42 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -72.55 -6.91 67.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.596 ' CG2' ' H ' ' A' ' 44' ' ' THR . 31.7 m -138.68 -122.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.596 ' H ' ' CG2' ' A' ' 43' ' ' THR . 11.6 m 60.09 -75.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.639 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.62 57.18 0.49 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 1.0 110.343 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 46' ' ' ASN . 40.6 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.725 0.298 . . . . 1.0 110.361 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.5 t -52.17 -30.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.39 -44.97 23.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.94 -35.93 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.553 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.565 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.9 m -67.78 -48.99 64.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.586 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.34 -34.54 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 51.9 t80 -78.7 -8.67 58.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.57 -51.24 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.657 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 58' ' ' GLY . 2.7 mmmp? -41.54 -51.62 3.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.635 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -77.36 42.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.609 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.15 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -85.09 -34.16 0.51 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.605 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.8 Cg_exo -57.26 -16.69 23.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.861 1.707 . . . . 1.0 111.959 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.48 -30.0 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -82.16 -17.52 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.73 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mtt -64.32 -36.77 85.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.36 6.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.512 ' H ' ' C ' ' A' ' 36' ' ' MET . 91.7 t -134.24 -3.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.462 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 0.2 OUTLIER -97.69 -58.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.567 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.7 OUTLIER -65.85 -32.36 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.614 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.3 -46.25 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.543 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.18 11.88 55.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.561 ' CG2' ' H ' ' A' ' 44' ' ' THR . 2.6 m -138.36 -140.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.315 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.561 ' H ' ' CG2' ' A' ' 43' ' ' THR . 84.2 m 56.45 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.616 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -149.47 40.1 0.89 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 5.4 p30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 1.0 110.633 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.82 -8.39 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.641 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.3 0.73 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -91.0 -21.83 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.449 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.421 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -86.47 -20.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.488 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.24 -42.58 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -80.84 -10.84 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.615 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -95.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.53 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.512 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.87 40.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.759 0.314 . . . . 1.0 110.643 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.9 -55.49 29.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -95.81 -41.48 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.972 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -56.34 -10.29 4.59 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 112.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.28 -32.85 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.599 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mt -92.49 -19.04 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.8 -37.17 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 mtt -81.77 -41.04 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -51.27 -32.87 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -85.1 -21.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 41' ' ' LEU . 69.0 t80 -77.58 -62.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.82 0.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.2 mt -86.17 -18.62 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.07 12.83 4.42 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 45' ' ' GLY . 43.6 p -136.34 -140.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 1.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 43' ' ' THR . 1.1 p 52.05 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -129.03 -54.01 0.11 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.3 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 1.0 110.511 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.744 0.307 . . . . 1.0 110.768 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 51' ' ' TRP . 2.1 t -81.31 -58.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 2.1 pp -59.08 -1.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -83.5 -34.14 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.715 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -76.05 -26.99 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.571 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 77.6 t -71.35 -74.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.22 -22.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -80.31 -66.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.38 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.42 -49.84 12.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -80.98 48.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.414 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.58 0.229 . . . . 1.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.48 54.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.638 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.87 -41.47 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.087 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.8 Cg_exo -67.53 -40.22 10.82 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.366 2.044 . . . . 1.0 112.076 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.78 -15.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -100.44 -26.11 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -46.53 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.587 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtt -71.52 -34.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.6 -20.56 56.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.9 t -103.95 -17.47 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -78.59 -67.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.89 -36.12 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.43 -36.06 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.459 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.74 1.41 58.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.563 ' CG2' ' H ' ' A' ' 44' ' ' THR . 2.7 m -135.31 -142.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 1.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.563 ' H ' ' CG2' ' A' ' 43' ' ' THR . 0.3 OUTLIER 68.05 -10.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.733 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 135.5 33.83 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.326 . . . . 1.0 110.573 -179.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.746 0.308 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -81.86 -23.92 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.77 5.74 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.605 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -92.66 -30.77 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.473 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -83.08 -29.3 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.28 -44.64 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.43 -19.63 62.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.593 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -58.26 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -50.58 -51.83 44.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.578 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 57' ' ' LYS . 3.1 mptp? -71.89 58.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.79 0.329 . . . . 1.0 110.609 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.9 mt -86.96 -44.54 11.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -92.26 -40.76 0.36 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.878 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -58.36 -30.45 91.24 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.268 1.979 . . . . 1.0 112.095 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.63 77.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.651 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -85.25 -37.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -39.13 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.42 -42.76 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.07 -5.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 95.7 t -118.14 -5.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.553 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 8.2 t80 -104.57 -6.59 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -132.41 -12.97 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -47.03 32.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.588 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.08 31.51 0.35 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.667 ' HG1' ' H ' ' A' ' 44' ' ' THR . 1.5 p -124.17 -144.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.362 -0.236 . . . . 1.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.667 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.4 p 37.84 -89.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -139.82 -45.29 0.07 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.729 -0.949 . . . . 1.0 110.729 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.9 p30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.836 0.35 . . . . 1.0 110.413 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.664 0.269 . . . . 1.0 110.771 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.84 -16.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 1.0 110.408 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.2 -31.6 16.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.493 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.07 -11.63 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.711 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 t -90.34 -26.56 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 55' ' ' ARG . 51.3 t -73.34 -76.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -39.65 -23.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.771 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.8 tpt180 -79.82 -61.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.517 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 58' ' ' GLY . 7.6 mmtm -48.8 -53.17 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CB ' ' HZ3' ' A' ' 57' ' ' LYS . 1.4 mtmp? -77.17 40.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.772 0.32 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.72 71.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.57 -41.32 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.067 179.787 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.76 -22.92 49.03 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.88 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.64 -26.88 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -37.63 82.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 38' ' ' VAL . 8.6 mtt -75.93 -32.98 59.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.09 11.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' A' ' 36' ' ' MET . 98.2 t -137.89 -5.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 67.7 t80 -99.13 -64.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.64 -16.66 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.25 -58.22 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 37.56 1.8 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 t -60.01 -37.62 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 1.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.688 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 73.2 p -95.44 -71.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.688 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -156.39 -66.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' GLY . 4.9 m-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 1.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.23 -24.74 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -84.44 -35.88 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -49.16 -29.0 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.576 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 m -74.63 -53.41 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.29 -54.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -50.29 -16.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.57 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 3.7 mtp180 -101.34 -40.7 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.85 41.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.48 -80.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.83 -33.61 0.66 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.2 Cg_exo -58.05 -28.04 81.87 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.895 1.73 . . . . 1.0 112.046 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -24.48 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -87.6 -27.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -63.27 -51.63 65.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.521 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.8 mtt -61.46 -42.85 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.671 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.87 -4.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 36' ' ' MET . 90.1 t -132.7 7.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.467 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -112.22 1.82 16.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.17 -18.84 2.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.675 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -56.07 -57.55 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.594 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.93 46.39 0.8 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 t -81.72 -30.12 32.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.335 . . . . 1.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.464 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 1.3 p -90.81 -83.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -157.46 18.34 0.37 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 1.0 110.511 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.769 0.318 . . . . 1.0 110.461 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.92 -22.42 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.507 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.17 -25.38 21.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -65.22 -11.99 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.222 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.3 m -89.14 -53.49 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.404 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.541 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.9 t -44.33 -61.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.594 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -61.96 3.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.248 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -112.34 -59.4 2.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.32 . . . . 1.0 110.95 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -43.63 -41.96 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.829 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -90.06 39.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.383 . . . . 1.0 110.32 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.642 0.258 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.51 -27.95 3.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -82.33 -33.85 0.64 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.493 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.8 Cg_exo -58.36 -23.96 65.84 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.931 1.754 . . . . 1.0 111.919 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.504 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -88.0 -27.54 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.479 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -63.79 -30.62 71.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.3 mtt -78.61 -37.06 43.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.08 -28.91 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.2 3.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -104.2 0.4 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 1.9 pp -142.13 -20.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.659 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.81 -32.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.88 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 44' ' ' THR . 10.1 t -98.53 -45.78 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 1.0 110.616 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 ' H ' ' HG1' ' A' ' 44' ' ' THR . 4.5 p -99.61 -96.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.55 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -104.02 -79.44 1.33 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.615 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.821 0.343 . . . . 1.0 110.422 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.7 -23.64 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.95 -34.02 33.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -54.64 -33.22 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.614 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.59 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m -72.28 -38.51 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.594 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.89 -45.31 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -29.6 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.597 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -47.33 -52.47 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -75.12 57.48 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.724 0.297 . . . . 1.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.68 57.92 1.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.3 -41.4 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.077 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.6 Cg_exo -65.62 -34.49 41.47 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.338 2.026 . . . . 1.0 112.073 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -7.03 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.458 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.12 -17.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.07 -46.39 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -76.7 -36.25 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.459 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -49.73 -17.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' MET . 65.7 t -100.66 -21.52 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -84.48 -53.58 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.52 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -70.39 -8.69 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -42.15 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.69 -53.4 5.44 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.496 ' C ' ' H ' ' A' ' 45' ' ' GLY . 10.1 t -148.55 -136.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 1.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.465 ' HG1' ' C ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 71.46 -40.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -158.36 52.61 0.39 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 9.4 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.873 0.368 . . . . 1.0 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.0 t -82.43 -57.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -4.25 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.488 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -78.65 -34.5 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.568 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -67.68 -22.75 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.57 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.76 -33.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -79.02 -10.75 59.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.574 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -53.77 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.629 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -48.55 -54.57 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.92 53.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.748 0.308 . . . . 1.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.5 -29.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -81.68 -40.29 1.0 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.786 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.4 Cg_exo -58.37 -32.97 97.34 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.265 1.976 . . . . 1.0 111.977 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.91 -26.31 64.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.1 -33.14 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.528 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -45.56 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.3 ptp -64.45 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.479 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -42.74 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.46 32.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.616 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -124.72 -44.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.503 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.65 -28.92 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -89.58 -5.83 56.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.548 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.81 -23.18 8.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.603 ' CG2' ' H ' ' A' ' 44' ' ' THR . 3.0 t -97.04 -114.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 1.0 110.65 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.603 ' H ' ' CG2' ' A' ' 43' ' ' THR . 17.4 p -41.5 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.631 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 159.84 -21.4 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.919 . . . . 1.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.0 p30 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 1.0 110.622 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.92 -31.54 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 52' ' ' THR . 7.9 mt -71.12 -38.23 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -46.22 -20.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.573 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 50' ' ' LEU . 23.2 m -86.78 -60.35 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.3 t -50.23 -45.89 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.593 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -34.98 71.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -80.17 -39.74 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.587 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -45.09 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' ARG . 5.2 mmtt -93.21 40.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.72 0.295 . . . . 1.0 110.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.64 -27.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -83.27 -40.33 0.8 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.722 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.2 Cg_exo -57.65 -34.08 97.6 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.252 1.968 . . . . 1.0 111.996 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.64 68.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.03 -23.16 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.394 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -34.34 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.3 -41.42 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.552 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 44.1 mt -57.55 -3.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.625 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 36' ' ' MET . 98.7 t -120.91 -2.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.342 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -111.75 10.11 20.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.804 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.55 -33.34 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 4.2 mp -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.17 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -102.99 -13.0 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 1.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -137.09 -41.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 160.9 -59.28 0.3 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 1.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.8 t -71.26 -12.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.86 -30.03 15.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -66.54 -8.28 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.625 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -97.69 -25.46 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.61 -48.89 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.602 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -14.9 63.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -81.86 -69.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -83.49 55.07 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.444 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.362 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.72 -56.25 4.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.586 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.54 -40.39 0.43 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.774 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.4 Cg_exo -58.55 -14.56 21.56 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.257 1.971 . . . . 1.0 112.048 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.86 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.33 -28.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.501 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.41 83.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.6 mtt -72.61 -27.4 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.604 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.46 14.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' MET . 45.6 t -136.54 -13.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.47 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.57 -35.48 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.02 -36.41 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -102.54 6.0 52.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.575 ' CG2' ' H ' ' A' ' 44' ' ' THR . 3.0 m -137.94 -140.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 1.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.575 ' H ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 62.14 -0.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.67 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 142.46 -6.7 2.21 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.717 0.294 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 95.4 t -70.55 -25.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.55 0.29 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.454 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CH2' ' NH2' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -87.94 -33.48 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.149 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -69.75 -13.0 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.407 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 -43.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -78.19 -13.37 59.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CH2' ' A' ' 51' ' ' TRP . 15.3 tpp85 -89.92 -61.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -47.44 -27.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.754 0.311 . . . . 1.0 110.604 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.07 42.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.41 -41.34 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.126 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.8 Cg_exo -66.46 -24.44 49.39 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.355 2.036 . . . . 1.0 112.079 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -24.31 61.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -99.92 -4.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.593 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.76 -32.35 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 38' ' ' VAL . 3.0 mmt -93.5 -21.79 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.72 14.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.232 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 36' ' ' MET . 58.3 t -129.69 -24.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.0 m-85 -81.93 -68.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.9 pp -49.09 -12.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.5 mm? -66.0 -38.47 88.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.655 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.12 31.12 0.97 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.151 -0.779 . . . . 1.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -179.22 134.93 0.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.836 0.35 . . . . 1.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.488 ' HG1' ' C ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 81.15 3.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.806 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.545 ' H ' ' ND2' ' A' ' 46' ' ' ASN . . . 158.79 78.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.603 ' ND2' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 1.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 1.0 110.364 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 51' ' ' TRP . 9.2 t -90.38 -61.16 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.6 3.93 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.536 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.478 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -90.79 -29.63 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.524 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -78.35 -24.04 46.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.84 -42.2 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.69 -21.56 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.665 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -72.51 -56.8 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -31.91 47.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -88.67 45.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.744 0.307 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -135.98 52.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.468 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.2 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.058 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.5 Cg_exo -65.79 -41.11 15.05 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.34 2.026 . . . . 1.0 111.963 -179.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.25 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.589 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.08 -33.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -42.62 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -72.37 -35.91 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.51 -29.5 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.98 35.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -132.44 -38.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.1 pp -68.38 -19.91 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.37 -40.15 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.31 92.49 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 40' ' ' LEU . 8.8 t -137.36 -140.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 1.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' HG1' ' A' ' 43' ' ' THR . 1.1 m 69.47 -64.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.51 56.96 0.47 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' LEU . 5.0 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 1.0 110.269 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.38 -20.32 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.427 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 3.7 mm? -91.12 -17.68 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.584 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -69.95 -31.89 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.584 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -74.7 -28.06 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.547 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.83 -54.13 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -62.15 -9.21 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.584 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -83.75 -64.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -57.4 -36.97 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -88.49 41.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.928 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.784 0.326 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -83.69 -81.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -81.37 -33.63 0.68 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.627 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.0 Cg_exo -58.51 -17.4 34.22 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.881 1.721 . . . . 1.0 112.019 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.55 77.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -84.74 -18.25 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.68 -35.55 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.4 mtt -84.43 -34.9 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.75 -3.61 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 81.1 t -113.25 -8.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.611 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -22.84 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.738 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 -0.86 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.747 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -94.61 -8.71 37.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.429 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.58 -34.69 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.7 t -104.26 -140.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 1.0 110.429 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 43' ' ' THR . 31.0 m 39.56 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.792 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -153.79 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 m-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 1.0 110.642 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.784 0.326 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' C ' ' H ' ' A' ' 51' ' ' TRP . 42.3 t -81.45 -64.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -48.74 -13.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -70.95 -38.69 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.552 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.605 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -68.94 -25.42 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 55' ' ' ARG . 54.7 t -73.94 -58.28 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.89 -10.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -91.59 -59.2 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.535 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -54.79 -51.29 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 57' ' ' LYS . 3.4 mptt -77.09 49.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.976 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.857 0.361 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.33 44.24 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.512 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.578 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 170.71 -41.22 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.098 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.9 Cg_exo -67.56 -24.45 42.0 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.327 2.018 . . . . 1.0 112.038 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -37.05 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.78 7.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -50.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mmt -76.57 -36.47 57.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.11 -22.75 6.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.74 3.97 8.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.93 4.81 25.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -148.67 -16.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.52 31.33 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 -55.22 2.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.822 0.344 . . . . 1.0 110.605 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 p -72.31 -102.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -140.77 -38.2 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 5.6 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 1.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.791 0.329 . . . . 1.0 110.486 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.9 t -91.98 -28.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.543 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.65 -7.45 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -77.88 -33.34 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -69.35 -26.79 64.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -68.07 -54.6 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.38 -26.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.545 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -82.08 -44.68 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.563 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.614 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -92.06 39.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.517 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.948 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.682 0.277 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.76 41.02 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.85 -41.41 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.035 179.78 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.88 -12.89 37.82 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.315 2.01 . . . . 1.0 112.011 -179.598 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.31 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.511 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -89.41 -26.98 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -38.83 84.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.5 mmt -79.49 -46.71 16.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.717 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' MET . 88.1 t -97.16 -32.41 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.1 t80 -58.23 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.742 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.612 ' CD2' ' H ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.97 -45.64 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.476 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 2.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 40' ' ' LEU . . . -134.82 7.23 4.5 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 38.5 p -140.01 -38.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 1.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 24.6 p -102.94 -55.15 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.573 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -60.75 -0.55 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 1.0 110.602 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 1.0 110.646 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.04 -19.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 3.7 mm? -91.16 -23.94 20.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.771 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -62.85 -31.3 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.585 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 t -68.88 -10.64 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' C ' ' H ' ' A' ' 55' ' ' ARG . 24.1 t -84.35 -50.17 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.48 1.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 53' ' ' VAL . 4.8 mmp_? -95.19 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -36.82 66.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -88.38 41.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.691 0.282 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -121.73 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.439 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.89 -40.36 7.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.745 179.805 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.75 -39.81 84.37 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.29 1.993 . . . . 1.0 112.093 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.61 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 7.6 mt -91.22 -9.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -81.69 -38.98 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.6 mtp -79.52 -34.17 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.58 -16.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.39 -13.63 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.295 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.3 t80 -94.93 -64.5 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.95 -19.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 -47.26 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -83.35 9.5 61.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.751 -0.939 . . . . 1.0 110.751 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.619 ' CG2' ' H ' ' A' ' 44' ' ' THR . 22.2 m -142.41 -127.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 1.0 110.659 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.619 ' H ' ' CG2' ' A' ' 43' ' ' THR . 91.0 m 56.54 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.613 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -143.37 56.37 0.56 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.474 -1.05 . . . . 1.0 110.474 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 -179.697 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.798 0.333 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 t -43.06 -53.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.51 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.36 -57.37 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -44.19 -30.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.49 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 54' ' ' PHE . 5.4 m -80.03 -44.17 20.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.8 -2.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -117.16 -7.78 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -90.83 -24.88 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.35 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -86.7 -18.37 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.461 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -87.94 38.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.257 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.888 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.711 0.291 . . . . 1.0 110.568 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.19 58.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.42 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.178 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.77 -39.98 18.61 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.367 2.045 . . . . 1.0 112.092 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.8 -26.8 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -86.41 -43.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.493 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.83 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.491 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -49.65 56.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.455 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -49.44 -25.26 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.234 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.46 -19.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 41' ' ' LEU . 17.9 t80 -79.56 -66.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.19 -0.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -85.86 -25.21 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.566 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.94 -25.14 10.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.0 t -140.46 -140.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' OG1' ' A' ' 43' ' ' THR . 58.7 m 56.93 -79.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.51 18.09 48.78 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.53 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.35 -21.84 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 4.44 50.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -90.67 -22.48 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.451 179.872 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 m -95.04 -27.66 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.79 -18.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.537 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 3.0 t80 -101.44 -13.03 18.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -41.86 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -75.54 -38.98 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -86.95 41.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.059 0.457 . . . . 1.0 110.235 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.721 0.296 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.23 73.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.556 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.29 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.11 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.75 -2.14 6.02 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.33 2.02 . . . . 1.0 112.014 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.15 18.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.445 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 72.8 mt -94.59 -7.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.424 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -52.35 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.6 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -0.32 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -93.95 6.96 46.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.194 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.28 -23.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -17.34 62.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.73 -35.34 4.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 3.8 mm? -84.54 28.2 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.426 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.32 -33.78 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.15 -102.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 1.0 110.553 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.51 ' N ' ' OG1' ' A' ' 43' ' ' THR . 72.0 p -44.43 -86.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 178.37 -68.25 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' GLY . 5.2 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 1.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.754 0.311 . . . . 1.0 110.517 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.1 t -47.26 -26.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.56 -45.34 22.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -42.18 -37.46 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.582 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.611 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -66.37 -55.09 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.02 -18.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 23.52 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.5 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.71 -31.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -29.14 27.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.428 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -92.28 41.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.515 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.896 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.721 0.296 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.97 -33.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -82.26 -33.93 0.64 Allowed Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.435 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.5 Cg_exo -57.92 -35.21 98.91 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.974 1.783 . . . . 1.0 111.885 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.54 -27.99 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.528 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 63.0 mt -82.48 -10.61 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.462 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.499 ' C ' ' H ' ' A' ' 38' ' ' VAL . 20.2 mtt -63.5 -30.95 71.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.462 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.39 -2.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' A' ' 36' ' ' MET . 65.1 t -128.77 10.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.475 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 39' ' ' PHE . 55.3 t80 -128.13 23.16 6.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 4.3 pp -138.77 -12.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.608 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -85.38 -26.13 26.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.034 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -103.87 -8.01 40.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.671 -0.972 . . . . 1.0 110.671 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' OG1' ' A' ' 44' ' ' THR . 9.0 p -134.82 88.9 2.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 43' ' ' THR . 3.2 m -177.42 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.15 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.29 14.21 4.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.646 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.825 0.345 . . . . 1.0 110.483 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.35 -25.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.06 -33.87 29.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.256 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -48.05 -25.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.215 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -76.64 -44.42 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -82.56 -63.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.45 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -40.38 -34.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -39.26 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.715 -179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -48.08 -69.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.46 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.593 ' CB ' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.92 69.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 1.0 110.1 179.653 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.826 0.346 . . . . 1.0 110.607 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -136.06 57.03 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 168.99 -41.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.051 179.797 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.1 Cg_exo -65.1 -47.71 4.38 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.436 2.091 . . . . 1.0 112.045 -179.594 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.51 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -82.97 -36.7 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -68.48 -48.95 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.431 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -25.19 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -64.27 -33.85 76.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.48 4.98 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' LEU . 74.8 t80 -93.6 -64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.577 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.24 -1.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt -102.08 0.68 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.65 1.94 3.31 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 t -102.11 -19.42 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -91.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.556 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.55 -65.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 1.0 110.612 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.339 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.6 t -71.01 -15.67 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.566 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.35 -2.46 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.9 -25.38 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 t -77.48 -17.72 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' NZ ' ' A' ' 57' ' ' LYS . 85.8 t -81.59 -56.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.65 -43.31 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 13.7 ttm180 -64.97 -47.47 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -53.34 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.477 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' NZ ' ' CG1' ' A' ' 53' ' ' VAL . 11.2 mttt -79.69 41.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.525 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 179.954 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.734 0.302 . . . . 1.0 110.493 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.17 -27.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -85.75 -40.32 0.6 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.763 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.9 Cg_exo -59.92 -48.29 12.94 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.287 1.991 . . . . 1.0 111.939 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.74 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -100.11 -20.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -46.08 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 38' ' ' VAL . 72.6 mtm -73.41 -21.83 60.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.556 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.43 15.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.216 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.1 t -132.78 -26.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.313 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 m-85 -75.48 -68.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.506 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -57.49 -4.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.1 tp -80.88 -58.22 3.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.686 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.34 -34.37 8.83 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.099 -0.801 . . . . 1.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.0 t -164.58 -136.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 1.0 110.686 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.45 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.4 m 63.52 -69.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.717 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.46 31.71 8.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.529 179.916 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 1.0 110.454 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.13 -40.12 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.81 -7.06 57.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.476 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -76.47 -47.52 22.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -52.46 -25.68 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.5 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ARG . 84.7 t -67.37 -87.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.59 -21.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.668 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.9 tpm_? -77.68 -73.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.439 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 58' ' ' GLY . 13.6 pttp -55.77 -22.47 24.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.739 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -71.68 41.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.502 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.859 0.361 . . . . 1.0 110.663 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.31 43.71 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.49 -41.39 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -66.86 -19.04 53.0 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.359 2.04 . . . . 1.0 112.027 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.5 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -86.73 -30.85 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -46.96 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -48.04 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.57 -15.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.369 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -103.6 -25.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -75.95 -66.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.618 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.73 -0.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.644 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.23 -45.09 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.593 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.13 45.03 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -101.71 -30.78 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -137.36 -87.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.68 -71.81 0.02 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 1.0 110.563 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.893 0.378 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.78 -24.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 3.9 mm? -90.95 -13.89 32.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.52 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.507 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.5 t -72.76 -25.74 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.46 -73.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.36 -36.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -57.36 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 58' ' ' GLY . 8.0 mmmt -44.4 -39.6 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.02 42.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.738 0.304 . . . . 1.0 110.594 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.35 -34.68 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.601 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.76 -40.22 0.67 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.1 Cg_exo -59.56 -51.01 6.87 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.272 1.982 . . . . 1.0 112.01 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.25 -30.99 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.703 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -80.24 -31.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.59 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.292 179.742 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -32.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 1.0 109.959 179.439 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -55.97 20.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.384 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.04 13.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.622 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -107.98 -46.0 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.722 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.47 -37.27 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.709 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.31 -25.05 42.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.27 -28.64 55.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 45' ' ' GLY . 9.6 t -171.9 -133.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 1.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' HG1' ' C ' ' A' ' 43' ' ' THR . 0.8 OUTLIER 71.31 -40.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -146.71 23.07 1.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.0 110.595 -179.957 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.87 -15.23 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.78 -23.67 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -70.49 -31.03 67.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.577 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.528 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.6 t -81.38 -30.01 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.12 -65.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.19 -15.92 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.554 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 4.6 ttm180 -86.28 -54.68 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -42.21 -43.43 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.544 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -81.56 41.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.981 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.732 0.301 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.24 35.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.435 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 172.35 -40.85 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.373 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.179 179.579 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.1 Cg_exo -67.01 -31.43 37.23 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.342 2.028 . . . . 1.0 111.952 -179.588 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.41 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.44 -25.49 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.406 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.63 -34.74 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -53.65 -24.45 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.242 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -103.01 -3.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' O ' ' OG1' ' A' ' 43' ' ' THR . 57.4 t80 -87.28 3.9 44.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -121.94 -22.32 5.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -41.25 -34.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.651 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.96 56.64 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 44' ' ' THR . 63.6 p -102.0 -102.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 59.7 p -41.66 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -136.3 -71.57 0.06 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.532 179.964 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.781 0.324 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.57 -37.28 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.564 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.52 -42.97 77.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.9 m -67.21 -44.63 79.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.17 -44.87 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -36.99 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.645 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -73.52 -46.48 47.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -41.47 -62.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.516 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.87 42.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.597 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.713 0.292 . . . . 1.0 110.635 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.34 38.88 2.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.467 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.63 -41.43 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.454 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.985 179.835 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.7 Cg_exo -66.2 -12.27 34.83 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.379 2.053 . . . . 1.0 111.931 -179.738 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.31 -32.51 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mt -80.26 -23.56 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.348 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.71 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.415 179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.455 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -64.27 -44.86 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.368 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.78 -10.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.425 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 36' ' ' MET . 68.4 t -108.64 -13.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.617 -179.89 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' CD2' ' OG1' ' A' ' 44' ' ' THR . 4.5 t80 -93.53 -35.73 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.74 -18.8 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -53.99 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.618 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.7 50.53 0.22 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.645 ' HG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -136.23 -55.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.54 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.645 ' N ' ' HG1' ' A' ' 43' ' ' THR . 87.1 m -86.49 -111.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -73.39 -64.19 2.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.773 0.32 . . . . 1.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.802 0.334 . . . . 1.0 110.546 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.2 -18.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.508 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.66 -19.85 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.518 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.26 -32.67 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.547 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.45 -39.84 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.513 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.17 -23.76 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.06 4.0 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' CA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.17 -52.61 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.586 -179.943 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -66.28 -39.81 89.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.74 55.91 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.953 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.648 0.261 . . . . 1.0 110.52 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -121.91 -24.86 5.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.71 -33.95 0.52 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.617 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -57.35 -23.21 53.65 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.007 1.805 . . . . 1.0 111.999 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -39.27 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 13.4 mt -85.44 2.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.66 -32.98 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 17.0 mtt -86.06 -25.31 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.77 13.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 47.4 t -134.33 -13.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -57.26 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -2.74 22.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -96.1 -39.54 9.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.91 179.807 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.15 20.63 49.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.2 t -88.42 -142.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.622 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.483 ' H ' ' HG1' ' A' ' 43' ' ' THR . 63.7 p 36.57 -87.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.221 179.566 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.01 -45.17 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 4.9 p30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.762 0.315 . . . . 1.0 110.638 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 1.0 110.586 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.35 -21.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 mt -84.68 -43.63 14.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.25 -39.41 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.594 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -70.9 -43.03 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.8 -31.97 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 63.8 t80 -85.85 -5.49 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.26 -45.65 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.947 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 13.1 mmtt -55.0 -60.56 3.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.96 71.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.775 0.321 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.14 72.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.558 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.48 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.121 179.788 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.5 Cg_exo -66.45 -22.6 51.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.419 2.079 . . . . 1.0 112.038 -179.629 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.85 -18.38 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.553 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -92.85 -22.27 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -38.22 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.511 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -83.77 -41.99 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.558 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.6 tp -45.03 -26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.79 -27.67 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD2' ' OG1' ' A' ' 43' ' ' THR . 24.5 t80 -74.41 -71.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -52.75 -9.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.525 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -72.32 -30.63 64.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.21 36.04 1.42 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.519 ' OG1' ' CD2' ' A' ' 39' ' ' PHE . 70.3 p -136.5 -75.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 43' ' ' THR . 65.3 p -51.4 -102.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . -81.95 -70.39 1.35 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.8 p30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 1.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 46' ' ' ASN . 2.3 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.79 0.328 . . . . 1.0 110.501 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -92.46 -21.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.24 -30.72 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.0 -28.06 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.574 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.516 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -80.87 -27.25 36.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.7 -71.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.59 -30.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -55.14 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -41.01 -59.61 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 53.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.769 0.319 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.59 -28.05 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.324 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.1 -41.4 0.44 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 46.1 Cg_exo -54.04 -30.06 57.85 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.057 1.838 . . . . 1.0 111.603 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.87 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.014 179.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 75.0 mt -98.02 -10.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' ILE . 18.2 t80 -78.59 -42.84 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.546 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.78 -40.56 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.49 -25.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.49 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.98 -19.85 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' MET . 12.7 t80 -81.24 -59.71 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.99 -7.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.6 mt -84.16 -19.7 33.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.593 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.55 -26.23 16.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' GLY . 29.1 p -105.75 -139.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 45' ' ' GLY . 58.0 p 51.72 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -110.31 -66.56 0.55 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.1 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 1.0 110.712 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.813 0.339 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.2 t -92.91 -36.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.01 -19.05 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.56 -27.21 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.579 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.493 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -75.38 -24.86 57.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.0 t -68.58 -68.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CD2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.85 -2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.842 -179.871 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.38 -62.05 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.14 -179.655 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -41.64 -37.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.744 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -92.02 39.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 1.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 1.0 110.567 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -134.79 61.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.18 -41.24 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.044 179.836 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.4 Cg_exo -65.16 -50.55 2.0 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.403 2.069 . . . . 1.0 111.963 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.5 -21.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -86.23 -40.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.248 179.852 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -67.17 -55.76 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.376 179.8 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -19.15 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.2 tp -90.52 -31.94 16.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.246 -179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 83.4 t -95.54 -1.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -23.14 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.605 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -108.97 -43.43 4.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.364 179.846 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 4.2 mm? -89.27 21.15 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.476 -179.883 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.99 -8.05 3.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.64 ' HG1' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -93.15 -98.16 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 1.0 110.657 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.64 ' H ' ' HG1' ' A' ' 43' ' ' THR . 76.9 p -41.06 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.69 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -162.8 -73.82 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.586 -179.96 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.83 0.348 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.32 -10.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' LEU . 33.5 mt -94.6 -26.91 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -19.62 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.621 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -91.02 -22.59 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.52 -58.03 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.31 56.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -76.55 -56.42 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -41.58 -37.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -86.43 41.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.957 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.557 0.218 . . . . 1.0 110.683 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.81 -33.39 6.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.532 179.711 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.58 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -66.6 -40.85 35.64 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.751 -179.835 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.1 Cg_exo -58.37 -19.9 45.56 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.172 1.915 . . . . 1.0 111.799 179.857 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.76 -1.88 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.441 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.61 -15.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.403 179.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -47.57 67.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.801 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 ptp -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.03 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.81 -65.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.396 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.22 -9.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.463 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.67 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.661 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -29.33 68.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.606 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.91 18.39 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.569 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.46 -4.74 3.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 45' ' ' GLY . 14.5 t -101.93 -139.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.653 0.263 . . . . 1.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.1 p 52.08 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.72 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -162.72 52.27 0.31 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 1.0 110.533 -179.98 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.369 . . . . 1.0 110.291 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.44 -26.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 3.7 mm? -82.49 -37.75 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.435 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.28 -37.53 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.56 -28.73 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.441 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -98.76 -9.29 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.701 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.3 t80 -101.01 -23.45 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -92.65 -44.98 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.621 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.69 -60.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -72.95 49.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.922 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -98.58 -67.15 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -82.36 -40.33 0.91 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.807 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 28.0 Cg_exo -58.87 -32.24 96.91 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.307 2.004 . . . . 1.0 112.063 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.43 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.6 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.7 -38.38 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -33.41 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.7 mmt -79.97 -49.11 12.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.42 -22.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.774 -179.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.4 t -101.64 -30.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.551 179.85 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.8 OUTLIER -81.58 29.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.718 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 38' ' ' VAL . 1.9 pp -168.11 -0.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.792 179.885 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -27.07 68.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.253 179.865 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.47 35.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -54.95 2.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 84.5 m -75.02 -105.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.567 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.526 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -114.8 -81.87 1.01 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.532 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 1.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 1.0 110.492 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 t -64.41 -50.81 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.48 -40.86 96.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.32 -41.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.943 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 12.5 m -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.7 t -72.31 -52.14 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.405 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -42.73 -31.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -76.5 -33.24 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' VAL . 23.5 mmtm -67.15 -9.53 40.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.795 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -95.07 40.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.395 179.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 mmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.46 87.88 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -152.35 103.5 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.58 -47.87 0.9 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.88 171.42 48.21 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.56 122.15 12.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 1.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 41.87 89.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 15.8 t70 -141.35 52.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 76.0 m-20 -138.08 46.16 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 2.1 t80 -55.64 101.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 2.5 p90 -56.91 169.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 153.29 -40.01 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 1.0 110.596 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -92.26 74.69 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.607 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.563 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -153.09 -69.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' NE2' ' N ' ' A' ' 15' ' ' ASN . 3.0 pm0 27.81 43.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.817 0.698 . . . . 1.0 111.672 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ASN . 36.3 m -97.4 144.35 27.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -77.77 61.21 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.533 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.47 45.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' THR . 12.8 tt0 -162.75 -35.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' O ' ' CE2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -58.27 -3.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 20' ' ' GLU . 95.1 m -101.37 -38.89 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.533 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' TRP . 37.8 m-20 -107.82 21.83 16.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.599 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.48 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.67 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 66.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 1.0 110.583 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -137.21 -55.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -155.9 19.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.87 78.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.59 38.31 29.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 1.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -134.32 -26.22 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.453 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.29 -40.23 0.71 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.769 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.7 Cg_exo -58.62 -37.04 96.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.311 2.007 . . . . 1.0 112.01 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.477 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -86.92 -38.84 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -37.65 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -75.08 -46.97 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 34.4 tp -50.21 -24.93 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.296 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -99.5 -11.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.438 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.0 t80 -89.38 -69.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.8 -24.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 2.1 mm? -60.16 -30.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.39 6.02 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 11.0 p -101.62 -139.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.8 m 56.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.1 54.43 0.53 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.826 -0.909 . . . . 1.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -146.85 113.76 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 1.0 110.566 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.95 -37.59 3.24 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.24 -16.8 36.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 1.0 110.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' TRP . 25.0 t -75.07 -75.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.75 -14.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -70.43 -51.29 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.533 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.4 t -61.79 -22.99 65.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' A' ' 55' ' ' ARG . 86.7 t -68.67 -53.85 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.679 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -79.29 20.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -122.14 -13.92 8.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.829 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 14.0 pttp -102.6 -41.03 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -89.75 37.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.959 0.409 . . . . 1.0 110.282 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.52 -131.64 0.11 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.45 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 43.15 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.546 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.8 23.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -58.24 163.32 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.553 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -56.32 166.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.556 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.36 88.37 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -139.03 52.21 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.33 36.74 0.14 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -81.83 -89.91 0.61 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 5' ' ' GLY . 4.8 t70 44.77 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 1.0 110.563 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -155.99 129.0 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -153.34 48.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.551 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' TYR . 17.6 t-20 49.15 40.02 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.513 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ASN . 21.2 t80 43.38 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -54.1 168.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.7 40.06 2.6 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.42 59.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 1.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.42 75.78 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -140.69 10.11 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -86.77 64.25 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.587 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 121.66 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -141.16 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -140.7 6.67 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.33 -33.08 10.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -98.93 -12.97 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -101.27 -22.66 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.644 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -88.14 -13.33 41.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.613 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 1.6 p-90 -54.96 -36.5 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.501 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 1.4 mtpp -162.3 107.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.23 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m 51.91 40.54 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.0 8.92 52.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.94 94.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 1.0 110.527 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.36 -78.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.527 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -83.23 -33.65 0.58 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.584 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.9 Cg_exo -58.79 -29.36 89.61 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.957 1.771 . . . . 1.0 111.966 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.85 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -87.47 -36.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -77.68 -29.19 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.52 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.13 14.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 36' ' ' MET . 82.1 t -139.06 -18.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.473 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -84.47 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.48 -16.57 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.584 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.35 -15.64 60.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.1 -48.22 2.09 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.8 t -149.8 -138.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 1.0 110.639 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 43' ' ' THR . 6.5 m 60.98 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -98.62 28.36 15.36 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -155.03 116.27 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 1.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.74 -22.58 16.74 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.49 -20.29 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 1.0 110.601 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.44 -37.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.699 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.7 -44.78 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.594 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.78 -38.24 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 18.5 m -70.71 -54.58 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -48.21 -21.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.605 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.33 23.78 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.0 mtp180 -130.97 -56.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.558 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' GLY . 1.2 mtmt -48.15 -52.8 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.528 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -77.85 41.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -52.34 -89.02 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -101.18 -50.15 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.81 136.4 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -98.28 160.76 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -57.89 104.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -45.7 153.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.576 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.8 t60 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.576 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 48.62 50.0 17.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -166.77 103.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.515 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -38.47 0.78 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.76 104.13 0.29 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.07 147.49 26.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 1.0 110.623 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -139.65 128.94 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.534 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -153.6 57.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -141.89 42.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.59 124.24 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -57.49 167.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.55 -60.24 0.03 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.52 66.68 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.57 57.54 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.623 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.28 25.08 2.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.549 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.55 66.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.58 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 m -141.56 -169.39 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.599 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -164.21 24.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 22' ' ' THR . 13.7 tt0 -138.9 -36.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.541 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -61.63 -0.26 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 20' ' ' GLU . 96.2 m -88.96 -19.54 25.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.7 t0 -96.03 22.87 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.18 -102.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.576 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 1.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 27' ' ' SER . 44.7 t 52.5 40.52 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.643 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 75.19 1.91 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.528 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.81 -8.21 70.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.72 12.0 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.738 0.304 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.2 mt -110.79 -28.54 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -72.81 -40.46 6.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.2 Cg_exo -58.31 -25.9 74.72 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.349 2.033 . . . . 1.0 112.021 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.32 -36.49 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 21.7 mt -84.88 6.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.28 -30.78 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.4 mtt -90.33 -33.26 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.703 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 2.3 mm? -56.56 -5.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.603 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 48.8 t -111.97 -14.54 10.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.709 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.7 -74.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -35.42 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.686 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 37' ' ' LEU . 5.5 mp -47.05 -31.47 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.47 67.17 0.1 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.2 t -129.0 -35.59 1.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 1.0 110.554 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.05 -87.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.574 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.06 43.42 0.29 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.63 -60.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 1.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.97 -23.27 23.24 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' LEU . 24.0 tp -65.06 -59.13 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 1.0 110.409 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -47.53 -20.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.499 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 48' ' ' LEU . 11.0 mp -91.1 -38.07 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -60.66 -32.4 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.614 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.8 t -81.59 -32.3 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -56.03 -56.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.614 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -65.24 -19.21 65.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -81.64 41.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.74 35.35 4.46 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -98.62 -73.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 1.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER 40.96 92.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.739 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -67.92 155.99 38.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -57.63 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -57.4 168.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.564 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mtp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -171.39 96.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -139.91 75.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.7 39.14 2.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.3 175.28 51.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 41.86 92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 1.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.44 158.12 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.61 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -146.91 54.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.549 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -138.76 42.75 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -53.09 95.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.519 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.01 178.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.522 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.38 123.27 0.82 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.78 49.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 1.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.01 71.42 6.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.573 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -149.18 29.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.89 64.11 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.597 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.42 118.11 29.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.15 175.45 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER 176.86 166.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 54.5 11.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.539 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -98.35 -2.36 39.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.533 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.5 m -98.61 -26.14 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 24' ' ' TRP . 2.0 p-10 -90.46 21.14 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.62 -100.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.618 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -57.53 -72.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 1.0 110.62 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' HG ' ' A' ' 27' ' ' SER . 0.9 OUTLIER 56.4 12.4 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.549 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 26' ' ' SER . 47.5 m -166.51 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 32' ' ' PRO . . . -73.57 8.43 10.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.6 6.16 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 1.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -114.13 -25.54 8.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.02 -34.03 0.72 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.491 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.4 Cg_exo -58.53 -25.87 76.14 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.882 1.722 . . . . 1.0 112.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.64 -35.15 65.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -85.86 -19.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.73 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.549 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 38' ' ' VAL . 21.5 mtt -78.95 -35.82 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.24 -7.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' MET . 2.8 t -130.37 21.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -126.9 -36.75 2.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.89 -24.63 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -87.04 -25.69 24.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.34 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.6 -24.39 56.29 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 45' ' ' GLY . 8.7 t -171.57 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 1.0 110.668 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' OG1' ' A' ' 43' ' ' THR . 3.8 m 62.61 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.61 17.62 49.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -138.84 87.7 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.72 -19.51 0.44 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.21 -15.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 1.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -71.91 -25.39 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.07 4.46 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.505 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -89.77 -33.04 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.439 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -75.6 -30.05 59.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.43 -42.68 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -31.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.655 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -60.0 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -48.44 -51.97 24.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -72.89 62.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.84 89.75 0.83 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -97.52 -62.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 1.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 60' ' ' HIS . 53.7 t-80 41.99 74.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 14.7 p80 -88.43 121.83 31.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.508 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -56.4 142.29 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.538 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' C ' ' A' ' 63' ' ' HIS . 1.9 t-160 -164.17 96.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.6 t60 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.546 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.84 42.05 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -147.16 49.06 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.48 -67.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 139.64 175.7 14.4 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.834 0.35 . . . . 1.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -152.24 165.55 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.559 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -154.47 52.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -139.12 49.98 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 1.1 t80 -51.77 109.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -50.78 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.544 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -152.14 99.23 0.19 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 76.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 1.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLY . 52.7 p30 -86.63 48.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 17' ' ' SER . 62.3 t30 -149.92 52.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.59 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.614 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -72.38 7.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.555 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER 41.16 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -137.54 152.91 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 m -57.97 -101.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.0 tt0 -99.72 1.44 43.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.584 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CD2' ' C ' ' A' ' 20' ' ' GLU . 43.7 p90 38.39 24.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.002 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.4 m -100.83 -48.42 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.554 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -101.38 29.14 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.588 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.14 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.625 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 86.06 4.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 1.0 110.626 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -154.64 -79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.502 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.53 39.15 24.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.48 -5.41 36.74 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.8 27.27 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.643 0.259 . . . . 1.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mt -116.42 -31.03 5.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -77.96 -40.23 1.95 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.836 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.4 Cg_exo -59.9 -53.18 3.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.33 2.02 . . . . 1.0 112.002 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.97 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.655 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mt -80.4 -28.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 1.0 110.102 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -74.36 -60.14 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.239 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.86 -26.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.113 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -56.04 25.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.11 -2.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.637 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 41' ' ' LEU . 40.6 t80 -84.92 -73.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.15 -7.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.3 mt -66.83 -37.11 83.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.77 51.82 0.29 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.477 ' OG1' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 t -101.39 -46.31 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 1.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.3 p -100.77 -56.32 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.95 -45.8 0.31 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.35 112.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.729 0.299 . . . . 1.0 110.572 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.31 -82.49 0.27 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.47 1.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 1.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.94 -54.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.509 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -41.59 -45.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.51 -36.67 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 17.6 m -79.84 -52.41 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -51.85 -25.3 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -89.59 -18.43 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.556 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -44.42 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -63.57 -46.51 85.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.593 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -77.92 55.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.73 -126.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -93.83 -66.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.32 . . . . 1.0 110.526 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.53 68.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 6.1 p80 -72.05 -48.68 42.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.606 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 8.6 t60 -163.93 125.78 2.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 7.6 m170 -162.6 140.96 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.513 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.51 100.26 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.59 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -138.89 49.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.526 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.43 -70.02 0.18 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.1 -84.46 0.17 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.84 -163.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 1.0 110.599 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.1 156.88 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -153.19 57.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.21 45.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.99 98.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.683 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -56.93 165.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.89 45.32 0.34 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -143.42 62.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.68 49.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.75 5.43 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -59.03 -25.35 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.522 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 41.26 93.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.655 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.97 96.4 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 9.9 m -138.67 164.11 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 22' ' ' THR . 2.2 mt-10 67.55 -65.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -65.52 -0.71 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -88.39 -36.26 16.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.657 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -88.17 23.88 2.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.568 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.27 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.66 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.29 73.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 1.0 110.615 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 t -69.16 -56.68 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.541 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.44 15.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.545 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 62.15 3.78 5.42 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . . . 54.15 101.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.746 0.307 . . . . 1.0 110.606 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.44 -82.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.77 -33.59 0.72 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.619 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.9 Cg_exo -57.91 -13.49 15.2 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.943 1.762 . . . . 1.0 112.01 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.56 -32.16 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.503 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -84.99 -17.97 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -73.23 -34.67 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mmt -80.49 -29.92 37.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.31 14.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 36' ' ' MET . 96.6 t -137.38 -18.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -85.57 -66.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -56.84 -13.59 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 -44.56 21.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.95 -35.7 49.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.717 -0.953 . . . . 1.0 110.717 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.6 t -169.58 -135.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.634 0.254 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.541 ' C ' ' H ' ' A' ' 46' ' ' ASN . 3.4 m 56.77 -74.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.193 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -74.65 22.68 1.36 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.521 -1.031 . . . . 1.0 110.521 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -137.1 118.8 15.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 1.0 109.876 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.94 -74.64 0.44 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.4 mm? -98.18 -43.34 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.501 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -51.51 -9.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 48' ' ' LEU . 24.7 mt -96.9 -41.65 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.537 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -59.11 -11.24 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.642 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -101.43 -18.58 15.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.7 -18.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.498 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -102.78 0.42 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.589 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mmp_? -106.44 -49.71 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.48 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -50.06 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.491 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.08 41.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.528 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -89.74 86.02 1.4 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -50.87 -28.52 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 1.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -43.41 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -59.13 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 42.06 90.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -46.5 135.02 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.581 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 2' ' ' GLU . 1.2 pt-20 -138.17 91.51 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -146.89 101.52 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.16 -50.17 0.75 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 6' ' ' ASP . . . 85.28 163.21 36.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 5' ' ' GLY . 3.2 m-20 -138.33 59.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 1.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -99.29 100.76 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -138.27 50.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -139.22 42.81 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.4 137.03 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -57.41 174.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.39 119.44 1.68 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.06 46.3 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 1.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -91.0 74.87 6.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.633 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' SER . 3.9 m120 -156.87 -75.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.579 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' NE2' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -59.34 -2.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.576 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -88.83 122.8 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.619 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 55.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t 41.73 -139.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.459 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' THR . 19.3 mm-40 -95.15 3.29 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.392 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD2' ' C ' ' A' ' 20' ' ' GLU . 45.4 p90 38.9 23.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.95 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 20' ' ' GLU . 18.6 m -104.11 -22.5 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -101.14 -4.41 27.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 21' ' ' TYR . 5.1 p-90 -50.07 -34.86 23.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -8.26 9.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.099 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -86.28 23.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 1.0 110.574 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER 79.61 40.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.751 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ALA . . . 44.52 20.39 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' SER . . . 48.6 99.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 1.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.26 -81.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.31 -33.72 0.77 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.551 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.9 Cg_exo -58.35 -35.49 98.64 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.852 1.701 . . . . 1.0 112.037 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.41 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.587 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -86.63 -42.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.463 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.73 -31.87 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.554 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mtt -88.82 -35.61 16.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.4 tp -55.64 -17.26 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.172 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.1 19.48 7.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.271 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 17.3 t80 -124.44 5.97 8.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -138.92 -30.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.786 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -41.34 -37.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.43 60.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -133.83 -60.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 1.0 110.732 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' OG1' ' A' ' 43' ' ' THR . 0.0 OUTLIER -78.77 -27.0 44.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.543 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . 135.94 -43.5 1.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 5.3 p30 40.87 91.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 1.0 110.669 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.06 -59.85 0.1 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -154.69 16.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 1.0 110.505 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -84.51 -30.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.515 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.74 -5.83 45.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.469 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.458 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -73.43 -45.52 53.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -64.62 -40.33 95.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.524 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.93 -36.4 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 39.9 t80 -78.98 -8.03 58.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -85.42 -63.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.523 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 5.5 pttp -51.58 -40.03 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 9.0 mttm -75.44 69.27 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.11 -122.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -98.93 -75.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 1.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -57.31 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 20.3 m-70 -101.43 160.49 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.609 ' ND1' ' N ' ' A' ' 63' ' ' HIS . 14.0 p80 41.38 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.609 ' N ' ' ND1' ' A' ' 62' ' ' HIS . 8.1 t-160 -44.56 100.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.2 p80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.582 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -62.36 73.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 1' ' ' MET . 22.2 tt0 -95.48 67.82 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.524 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.5 -40.41 1.16 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 42.3 -111.72 0.36 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 43.56 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -85.83 135.78 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.572 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -154.96 47.36 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 11' ' ' TYR . 7.1 t-20 -142.26 43.62 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -58.57 80.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.54 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -58.03 165.22 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.75 -127.55 1.73 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -167.74 41.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 1.0 110.513 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.2 OUTLIER 42.38 40.8 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.623 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.613 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 55.9 m-20 -147.54 -82.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 15' ' ' ASN . 3.4 pm0 27.46 47.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.861 0.725 . . . . 1.0 111.681 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -41.86 151.93 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.43 156.31 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' TYR . 7.3 m -158.21 149.49 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.509 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' A' ' 22' ' ' THR . 4.4 tt0 75.99 -24.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' A' ' 19' ' ' CYS . 4.1 t80 -76.47 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -154.94 20.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.612 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.31 21.46 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.55 -95.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.724 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 35.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.806 0.336 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -80.92 4.06 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.578 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -136.56 -70.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.19 26.5 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.73 37.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.712 0.292 . . . . 1.0 110.469 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.48 -27.98 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.37 -33.5 0.53 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.679 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.2 Cg_exo -57.28 -30.18 86.62 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.977 1.785 . . . . 1.0 111.956 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.12 84.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 8.4 mt -84.87 -5.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.512 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' C ' ' H ' ' A' ' 37' ' ' LEU . 5.0 t80 -88.05 -56.77 3.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.553 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 10.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.457 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 35' ' ' TYR . 2.1 mm? -104.67 6.66 34.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.893 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -136.55 -21.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -73.49 -39.39 64.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.57 -49.77 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.35 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.28 -50.99 20.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.42 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -72.55 -6.91 67.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.596 ' CG2' ' H ' ' A' ' 44' ' ' THR . 31.7 m -138.68 -122.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.596 ' H ' ' CG2' ' A' ' 43' ' ' THR . 11.6 m 60.09 -75.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.639 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.62 57.18 0.49 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -153.2 120.55 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 1.0 110.343 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.66 -16.24 1.92 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 46' ' ' ASN . 40.6 tp -98.57 -42.64 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 1.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.5 t -52.17 -30.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.39 -44.97 23.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.94 -35.93 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.553 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.565 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.9 m -67.78 -48.99 64.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.586 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.34 -34.54 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 51.9 t80 -78.7 -8.67 58.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.57 -51.24 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.657 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 58' ' ' GLY . 2.7 mmmp? -41.54 -51.62 3.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.635 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -77.36 42.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.609 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -87.57 77.72 1.89 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -74.63 -51.4 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.48 126.48 27.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -77.03 111.64 12.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -53.63 88.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 25.1 t-80 -55.71 160.07 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 68.2 t60 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.623 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.66 49.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -139.5 72.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.529 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.52 33.48 4.16 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 -142.25 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.24 96.65 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -154.49 43.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.595 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 15.1 m-20 -148.72 52.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.569 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 8.5 p30 44.0 35.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.1 0.476 . . . . 1.0 110.513 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -54.24 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.71 156.41 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.533 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.89 -62.57 0.05 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 72.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 1.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -137.01 52.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.591 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLN . 5.8 m-20 -135.99 -83.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ASN . 1.4 pt20 21.88 49.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.028 0.83 . . . . 1.0 112.081 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 3.0 m -84.8 80.04 9.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 17' ' ' SER . 11.5 tt0 43.07 94.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.524 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.7 62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -172.98 -32.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -65.76 3.46 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.562 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 20' ' ' GLU . 4.7 m -88.41 -39.72 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.502 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -78.39 1.45 21.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.478 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -58.77 -147.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.633 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.04 41.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.453 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -66.78 -60.25 2.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.508 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.67 -17.81 5.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.21 -24.59 2.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.45 75.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 1.0 110.537 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.15 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -85.09 -34.16 0.51 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.605 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.8 Cg_exo -57.26 -16.69 23.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.861 1.707 . . . . 1.0 111.959 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.48 -30.0 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -82.16 -17.52 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.73 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mtt -64.32 -36.77 85.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.36 6.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.512 ' H ' ' C ' ' A' ' 36' ' ' MET . 91.7 t -134.24 -3.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.462 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 0.2 OUTLIER -97.69 -58.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.567 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.7 OUTLIER -65.85 -32.36 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.614 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.3 -46.25 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.543 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.18 11.88 55.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.561 ' CG2' ' H ' ' A' ' 44' ' ' THR . 2.6 m -138.36 -140.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.315 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.561 ' H ' ' CG2' ' A' ' 43' ' ' THR . 84.2 m 56.45 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.616 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -149.47 40.1 0.89 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 5.4 p30 -60.49 75.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 1.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -170.36 -33.77 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -140.94 -2.84 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 1.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.82 -8.39 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.641 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.3 0.73 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.429 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -91.0 -21.83 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.449 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.421 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -86.47 -20.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.488 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.24 -42.58 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -80.84 -10.84 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.615 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -95.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.53 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.512 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.87 40.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.29 -108.33 2.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -57.43 -29.09 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 1.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -49.64 101.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -75.68 168.0 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.617 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -57.41 108.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.85 116.06 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.501 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.02 -0.991 . . . . 1.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mtm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 43.39 59.05 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -154.09 97.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.555 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.84 -56.41 0.62 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.41 106.62 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.57 153.36 39.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.807 0.337 . . . . 1.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -67.56 146.87 53.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -141.9 53.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -114.04 38.67 2.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.37 118.9 8.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.07 161.05 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.582 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 166.37 109.71 0.22 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.72 68.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -57.52 82.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.613 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' ALA . 27.7 t-20 -151.26 -68.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.594 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.562 ' H ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -76.51 12.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.527 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' ASN . 41.6 t -86.16 67.58 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.569 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -99.32 105.93 17.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.08 176.59 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 54.64 15.84 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -92.84 -3.15 55.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.0 m -98.3 -42.24 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' TRP . 34.0 m-20 -108.95 26.63 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.552 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.54 -102.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.629 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 74.32 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 1.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.34 -3.46 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.598 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.18 1.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -101.82 24.87 29.95 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.83 16.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 1.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.9 -55.49 29.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -95.81 -41.48 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.972 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -56.34 -10.29 4.59 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 112.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.28 -32.85 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.599 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mt -92.49 -19.04 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.8 -37.17 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 mtt -81.77 -41.04 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -51.27 -32.87 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -85.1 -21.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 41' ' ' LEU . 69.0 t80 -77.58 -62.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.82 0.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.2 mt -86.17 -18.62 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.07 12.83 4.42 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 45' ' ' GLY . 43.6 p -136.34 -140.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 1.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 43' ' ' THR . 1.1 p 52.05 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -129.03 -54.01 0.11 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.3 p30 41.11 29.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 1.0 110.511 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . -144.93 77.33 0.27 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp 56.67 4.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 1.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 47' ' ' GLY . 2.1 t -81.31 -58.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 2.1 pp -59.08 -1.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -83.5 -34.14 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.715 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -76.05 -26.99 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.571 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 77.6 t -71.35 -74.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.22 -22.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -80.31 -66.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.38 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.42 -49.84 12.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -80.98 48.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.414 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.08 -29.23 0.19 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 60' ' ' HIS . 4.0 m80 -68.9 -50.4 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.743 0.306 . . . . 1.0 110.489 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 59' ' ' HIS . 31.3 t60 50.84 103.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -128.65 151.33 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.418 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.37 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -76.12 -173.12 2.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.6 t60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.587 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.01 60.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -139.19 80.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.605 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.42 -54.41 0.43 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.45 167.96 0.17 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.98 126.45 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 1.0 110.547 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -57.27 142.92 41.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.619 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.31 48.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -139.01 45.87 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.92 171.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -57.79 166.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.68 8.03 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 60.22 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 1.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -138.26 43.05 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.548 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 17' ' ' SER . 45.2 m-80 -154.7 42.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.702 HE21 ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.24 24.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.542 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 15' ' ' ASN . 25.1 t -138.62 -173.97 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.548 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -71.95 64.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -137.76 -174.05 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.664 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 22' ' ' THR . 1.1 tt0 60.33 3.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' CYS . 2.2 p90 -71.65 13.21 0.28 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.525 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' GLU . 35.0 m -100.27 -31.88 11.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.642 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -90.74 24.6 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.548 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -44.12 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.734 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.8 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 1.0 110.553 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -98.75 -60.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.635 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 29' ' ' ALA . 4.1 m -176.51 -32.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 30' ' ' LEU . . . -49.8 -10.2 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -74.09 22.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.106 -0.238 . . . . 1.0 110.714 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLY . 13.1 mt -108.48 54.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.87 -41.47 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.087 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.8 Cg_exo -67.53 -40.22 10.82 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.366 2.044 . . . . 1.0 112.076 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.78 -15.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -100.44 -26.11 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -46.53 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.587 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtt -71.52 -34.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.6 -20.56 56.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.9 t -103.95 -17.47 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -78.59 -67.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.89 -36.12 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.43 -36.06 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.459 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.74 1.41 58.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.563 ' CG2' ' H ' ' A' ' 44' ' ' THR . 2.7 m -135.31 -142.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 1.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.563 ' H ' ' CG2' ' A' ' 43' ' ' THR . 0.3 OUTLIER 68.05 -10.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.733 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 135.5 33.83 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -136.66 85.76 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.326 . . . . 1.0 110.573 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.63 -22.62 0.15 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -138.6 -18.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 1.0 110.496 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -81.86 -23.92 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.77 5.74 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.605 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -92.66 -30.77 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.473 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -83.08 -29.3 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.28 -44.64 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.43 -19.63 62.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.593 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -58.26 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -50.58 -51.83 44.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.578 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 59' ' ' HIS . 3.1 mptp? -71.89 58.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.87 35.35 0.88 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 57' ' ' LYS . 22.3 m-70 -100.72 -52.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 1.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 59' ' ' HIS . 33.1 p-80 41.36 26.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.629 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -61.01 -1.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.569 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 60' ' ' HIS . 2.7 t-80 43.68 -156.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.62 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -49.66 144.28 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.94 -1.029 . . . . 1.0 110.591 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 56.33 51.45 11.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.566 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -80.82 42.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.22 -50.53 0.63 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.82 -139.96 10.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -139.62 92.34 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 1.0 110.627 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.53 119.41 31.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -156.67 48.42 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -138.3 46.5 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -49.91 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -57.79 173.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.6 76.77 1.18 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.16 50.69 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.626 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -137.92 41.7 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -152.46 16.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -72.89 58.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.5 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.5 t -89.75 -169.83 2.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.593 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -45.63 92.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.511 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.1 t -154.74 16.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.6 -21.23 14.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.53 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.714 ' HH ' ' HZ3' ' A' ' 57' ' ' LYS . 19.1 t80 -96.25 -12.99 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -102.35 -14.2 17.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -7.26 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.4 p-90 -42.96 -50.13 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.555 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.1 mtpt -147.3 108.63 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -148.09 -76.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.65 33.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.47 -14.01 58.08 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 74.96 3.39 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.9 mt -86.96 -44.54 11.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -92.26 -40.76 0.36 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.878 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -58.36 -30.45 91.24 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.268 1.979 . . . . 1.0 112.095 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.63 77.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.651 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -85.25 -37.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -39.13 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.42 -42.76 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.07 -5.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 95.7 t -118.14 -5.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.553 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 8.2 t80 -104.57 -6.59 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -132.41 -12.97 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -47.03 32.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.588 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.08 31.51 0.35 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.667 ' HG1' ' H ' ' A' ' 44' ' ' THR . 1.5 p -124.17 -144.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.362 -0.236 . . . . 1.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.667 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.4 p 37.84 -89.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -139.82 -45.29 0.07 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.729 -0.949 . . . . 1.0 110.729 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.9 p30 41.25 47.76 3.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.836 0.35 . . . . 1.0 110.413 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . -168.34 76.54 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.55 4.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.664 0.269 . . . . 1.0 110.771 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 47' ' ' GLY . 2.7 t -81.84 -16.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 1.0 110.408 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.2 -31.6 16.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.07 -11.63 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.711 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 t -90.34 -26.56 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 55' ' ' ARG . 51.3 t -73.34 -76.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -39.65 -23.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.771 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.8 tpt180 -79.82 -61.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.517 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 58' ' ' GLY . 7.6 mmtm -48.8 -53.17 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.714 ' HZ3' ' HH ' ' A' ' 21' ' ' TYR . 1.4 mtmp? -77.17 40.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -82.68 74.33 2.53 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -100.04 -70.82 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 1.0 110.52 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.7 t60 42.49 85.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 11.9 m-70 -78.18 96.18 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -58.19 94.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -57.94 149.05 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.583 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.536 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 41.75 84.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -138.28 92.2 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.49 -31.07 1.82 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.91 104.04 0.65 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -140.8 135.29 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 1.0 110.52 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.8 -171.59 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 38.2 t0 -139.04 49.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.514 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 9' ' ' ASN . 2.7 p-10 43.65 36.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.1 t80 43.01 91.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -153.48 153.49 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.61 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.58 64.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -138.09 64.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 1.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -100.47 43.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -100.1 -34.57 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.615 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 4.9 pm0 -50.61 -37.05 38.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.561 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 t 41.81 52.82 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 -174.53 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.594 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 62.51 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.564 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 65.15 -1.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.568 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.474 ' H ' ' C ' ' A' ' 19' ' ' CYS . 14.7 t80 -100.52 -23.91 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.564 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 22' ' ' THR . 98.4 m -99.56 0.1 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.44 25.13 2.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.622 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.2 -101.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.635 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -50.14 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 1.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 t 54.84 8.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.616 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 164.14 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.613 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -16.31 33.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.28 -2.94 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.72 71.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.57 -41.32 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.067 179.787 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.76 -22.92 49.03 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.88 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.64 -26.88 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -37.63 82.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 38' ' ' VAL . 8.6 mtt -75.93 -32.98 59.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.09 11.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' A' ' 36' ' ' MET . 98.2 t -137.89 -5.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 67.7 t80 -99.13 -64.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.64 -16.66 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.25 -58.22 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 37.56 1.8 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 t -60.01 -37.62 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 1.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.688 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 73.2 p -95.44 -71.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.688 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -156.39 -66.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' GLY . 4.9 m-80 41.91 93.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 1.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.26 14.16 52.02 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -141.5 -40.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 1.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.23 -24.74 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' CD2' ' H ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -84.44 -35.88 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -49.16 -29.0 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.576 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 m -74.63 -53.41 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.29 -54.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -50.29 -16.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.57 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 3.7 mtp180 -101.34 -40.7 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.85 41.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.93 32.31 5.44 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -83.41 -70.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.788 0.327 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 42.43 52.99 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -67.68 -77.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 42.99 78.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -57.92 123.71 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 64' ' ' HIS . 2.8 t-160 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -94.49 83.43 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.88 69.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.64 -34.4 0.89 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 96.84 0.25 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.3 150.78 24.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 1.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -86.4 167.18 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.24 43.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -148.35 46.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.42 140.77 49.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -53.23 113.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.614 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.53 88.9 0.66 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.54 46.6 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 1.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.85 48.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLN . 32.7 m-80 -135.17 -85.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ASN . 8.6 pt20 27.61 48.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.853 0.72 . . . . 1.0 111.781 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 114.72 26.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.618 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.21 113.68 27.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.593 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 m -84.48 43.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 22' ' ' THR . 12.9 tt0 -152.02 -37.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.54 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -69.49 9.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.502 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -142.04 19.02 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.506 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.35 6.23 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -53.31 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.595 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.68 57.92 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 1.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.89 -78.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.639 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.7 m 52.64 37.09 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 10.54 60.01 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.92 94.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.48 -80.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.83 -33.61 0.66 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.2 Cg_exo -58.05 -28.04 81.87 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.895 1.73 . . . . 1.0 112.046 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -24.48 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -87.6 -27.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -63.27 -51.63 65.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.521 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.8 mtt -61.46 -42.85 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.671 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.87 -4.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 36' ' ' MET . 90.1 t -132.7 7.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.467 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -112.22 1.82 16.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.17 -18.84 2.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.675 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -56.07 -57.55 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.594 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.93 46.39 0.8 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 t -81.72 -30.12 32.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.335 . . . . 1.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.464 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 1.3 p -90.81 -83.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -157.46 18.34 0.37 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -72.64 69.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 1.0 110.511 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.66 -56.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.883 . . . . 1.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.42 -26.11 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 1.0 110.461 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.92 -22.42 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.507 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.17 -25.38 21.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.519 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -65.22 -11.99 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.222 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.3 m -89.14 -53.49 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.404 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.541 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.9 t -44.33 -61.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.594 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -61.96 3.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.248 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -112.34 -59.4 2.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.32 . . . . 1.0 110.95 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -43.63 -41.96 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.829 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -90.06 39.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.383 . . . . 1.0 110.32 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.57 -87.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.63 -71.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 1.0 110.595 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 41.84 92.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.89 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -163.72 144.28 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -164.09 142.35 7.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.605 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.52 86.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.67 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.05 58.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.83 -64.86 0.23 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.35 157.78 25.96 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -155.15 70.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 1.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.34 137.51 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.616 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.51 44.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -140.54 42.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.5 148.51 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.599 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -48.98 114.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.595 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 68.16 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.11 50.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 1.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -81.39 41.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' SER . 22.6 p30 -96.14 -18.82 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.607 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 6.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 15' ' ' ASN . 12.9 t -56.71 107.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.533 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -158.18 108.91 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.0 p -173.39 158.87 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.558 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.16 4.44 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.484 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 12.2 t80 -95.09 -17.86 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.599 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -98.82 -23.19 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.57 -7.4 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' O ' ' CG ' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -59.99 114.83 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 1.9 pttt 21.08 49.11 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.391 -0.822 . . . . 1.0 112.312 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -88.54 -18.37 28.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.2 m 163.45 -22.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 136.9 -2.21 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 76.22 34.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.642 0.258 . . . . 1.0 110.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.51 -27.95 3.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -82.33 -33.85 0.64 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.493 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.8 Cg_exo -58.36 -23.96 65.84 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.931 1.754 . . . . 1.0 111.919 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.504 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -88.0 -27.54 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.479 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -63.79 -30.62 71.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.3 mtt -78.61 -37.06 43.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.08 -28.91 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.2 3.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -104.2 0.4 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 1.9 pp -142.13 -20.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.659 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.81 -32.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.88 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 44' ' ' THR . 10.1 t -98.53 -45.78 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 1.0 110.616 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 ' H ' ' HG1' ' A' ' 44' ' ' THR . 4.5 p -99.61 -96.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.55 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -104.02 -79.44 1.33 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER 48.85 99.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.615 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.32 -20.39 41.02 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 tp -100.59 -42.67 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 1.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.7 -23.64 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.95 -34.02 33.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -54.64 -33.22 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.614 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.59 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m -72.28 -38.51 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.594 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.89 -45.31 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -29.6 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.597 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -47.33 -52.47 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -75.12 57.48 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.69 -136.92 7.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.12 -82.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 61' ' ' HIS . 16.7 m-70 -137.24 13.25 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.732 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 60' ' ' HIS . 1.6 t-80 47.66 99.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.743 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -157.7 85.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.611 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 176.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -138.42 102.35 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -136.04 49.85 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.65 37.98 0.14 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.82 63.55 4.06 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 9.8 t0 44.76 95.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 1.0 110.634 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 64.0 t80 -74.1 50.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t70 49.49 40.83 19.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -133.86 48.86 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CZ ' ' OD2' ' A' ' 6' ' ' ASP . 11.3 m-85 -51.16 131.35 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -58.11 176.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.51 87.97 0.51 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.1 73.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -99.94 45.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -138.76 6.81 2.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.529 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.68 -15.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.596 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.57 163.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.583 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 19' ' ' CYS . 11.8 tt0 41.79 64.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.561 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 18' ' ' GLU . 13.4 m -48.34 -99.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.4 mm-40 -136.17 22.74 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 43.0 p90 39.21 23.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.4 m -98.79 0.06 43.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.551 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.01 28.9 2.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.534 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.33 -101.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.633 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -89.82 57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 p -101.01 -10.38 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -51.32 -17.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.579 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.84 -5.13 2.77 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.97 63.36 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 1.0 110.544 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.68 57.92 1.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.3 -41.4 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.077 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.6 Cg_exo -65.62 -34.49 41.47 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.338 2.026 . . . . 1.0 112.073 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.16 -7.03 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.458 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.12 -17.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.07 -46.39 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -76.7 -36.25 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.459 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -49.73 -17.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' MET . 65.7 t -100.66 -21.52 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -84.48 -53.58 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.52 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -70.39 -8.69 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -42.15 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.69 -53.4 5.44 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.496 ' C ' ' H ' ' A' ' 45' ' ' GLY . 10.1 t -148.55 -136.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 1.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.465 ' HG1' ' C ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 71.46 -40.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -158.36 52.61 0.39 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 9.4 m-80 -154.47 117.74 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.02 -26.14 14.22 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.29 -24.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 1.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.0 t -82.43 -57.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -4.25 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.488 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -78.65 -34.5 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.568 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -67.68 -22.75 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.57 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.76 -33.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -79.02 -10.75 59.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.574 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 -53.77 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.629 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -48.55 -54.57 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.92 53.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.46 -83.99 1.77 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 22.0 m80 -92.63 -50.76 5.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.714 0.293 . . . . 1.0 110.521 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 50.3 p-80 39.55 94.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.864 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.548 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 7.3 p80 -71.32 -169.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -45.94 123.57 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -57.6 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 m170 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.581 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.67 68.84 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -166.51 98.71 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.31 31.68 4.88 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.45 144.5 36.92 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -138.62 134.68 34.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.569 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.97 179.01 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -148.65 50.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.632 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -140.39 43.89 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.7 -45.97 84.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.25 172.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.33 -80.36 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.18 55.9 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.89 71.14 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.78 19.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.635 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -64.71 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.593 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' GLN . 7.5 t 43.47 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 21' ' ' TYR . 5.4 tt0 -91.92 122.95 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -169.48 116.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 8.9 tt0 75.41 9.79 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.61 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -80.01 8.64 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.607 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.8 m -94.14 -44.77 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 24' ' ' TRP . 50.0 m-20 -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.45 -100.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.674 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -54.72 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 1.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 p 48.33 24.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t 59.8 37.96 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.531 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.66 10.05 82.1 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.59 58.96 3.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 1.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.5 -29.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -81.68 -40.29 1.0 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.786 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.4 Cg_exo -58.37 -32.97 97.34 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.265 1.976 . . . . 1.0 111.977 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.91 -26.31 64.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.1 -33.14 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.528 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -45.56 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.3 ptp -64.45 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.479 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -42.74 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.46 32.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.616 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -124.72 -44.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.503 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.65 -28.92 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -89.58 -5.83 56.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.548 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.81 -23.18 8.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.603 ' CG2' ' H ' ' A' ' 44' ' ' THR . 3.0 t -97.04 -114.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 1.0 110.65 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.603 ' H ' ' CG2' ' A' ' 43' ' ' THR . 17.4 p -41.5 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.631 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 159.84 -21.4 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.919 . . . . 1.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.0 p30 41.19 60.97 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 1.0 110.622 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.61 -59.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -144.93 3.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 1.0 110.491 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.92 -31.54 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 52' ' ' THR . 7.9 mt -71.12 -38.23 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -46.22 -20.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.573 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 50' ' ' LEU . 23.2 m -86.78 -60.35 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.3 t -50.23 -45.89 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.593 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -34.98 71.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -80.17 -39.74 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.587 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.655 ' HZ2' ' CE1' ' A' ' 61' ' ' HIS . 11.3 mmmt -45.09 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' ARG . 5.2 mmtt -93.21 40.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.05 -57.71 2.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.06 -82.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 61' ' ' HIS . 55.0 t60 -137.33 168.51 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.655 ' CE1' ' HZ2' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -74.21 115.0 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 56.4 p-80 -43.69 -44.22 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.574 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.459 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -45.26 166.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.572 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' ND1' ' C ' ' A' ' 64' ' ' HIS . 2.1 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 24.6 mp0 -138.02 82.19 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.76 42.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.65 -47.8 0.57 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.03 102.8 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -143.61 87.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -143.15 46.79 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 49.05 39.99 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -138.49 44.49 2.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -58.03 94.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.582 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -53.75 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.565 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.576 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . 149.77 109.77 0.5 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -71.03 72.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.309 . . . . 1.0 110.566 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 2.4 t70 -50.83 87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.691 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' ALA . 85.9 m-20 -152.14 -36.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.689 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 69.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -101.7 41.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.534 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.3 97.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 142.28 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.596 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 65.74 8.0 4.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.81 -20.82 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -94.07 -30.33 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p30 -97.87 29.28 3.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.623 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.51 -112.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 24.6 ttpt -59.38 -126.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m 59.6 33.53 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 1.0 110.476 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.01 29.73 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.555 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.85 8.71 75.74 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.61 54.96 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.72 0.295 . . . . 1.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.64 -27.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -83.27 -40.33 0.8 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.722 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.2 Cg_exo -57.65 -34.08 97.6 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.252 1.968 . . . . 1.0 111.996 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.64 68.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.03 -23.16 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.394 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -34.34 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.3 -41.42 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.552 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 44.1 mt -57.55 -3.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.625 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 36' ' ' MET . 98.7 t -120.91 -2.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.342 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -111.75 10.11 20.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.804 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.55 -33.34 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 4.2 mp -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.17 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -102.99 -13.0 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 1.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -137.09 -41.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 160.9 -59.28 0.3 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER 50.47 101.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 1.0 110.582 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.73 -59.04 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -140.56 -10.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.8 t -71.26 -12.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.86 -30.03 15.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -66.54 -8.28 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.625 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -97.69 -25.46 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.61 -48.89 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.602 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -14.9 63.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -81.86 -69.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -83.49 55.07 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.444 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.75 66.45 1.95 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -71.48 -60.56 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 1.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 54.0 t-80 41.79 41.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.7 124.57 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.549 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -51.99 -38.5 56.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -42.85 157.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.5 m80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.527 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' H1 ' ' H ' ' A' ' 2' ' ' GLU . 44.0 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.3 mt-10 44.43 71.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.545 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.7 -158.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.536 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.16 13.18 37.2 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.427 -1.069 . . . . 1.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . 39.58 -151.36 0.08 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.072 -0.811 . . . . 1.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 5' ' ' GLY . 22.6 t0 47.68 99.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 45.7 -158.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.623 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 59.21 54.87 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' TYR . 50.0 t30 56.97 51.29 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -40.86 -26.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.643 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 m-85 -41.95 128.03 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.34 52.71 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.51 44.79 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 1.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.29 71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.509 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 17' ' ' SER . 18.7 m120 -129.0 -7.3 4.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.57 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -77.74 21.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 15' ' ' ASN . 2.6 t -53.88 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.596 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 42.3 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 t -171.67 45.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.25 -36.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 68.8 t80 -72.27 59.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 21' ' ' TYR . 77.8 m -168.46 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.579 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -17.62 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -59.85 144.06 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.591 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.33 56.06 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.1 p -159.18 27.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 29' ' ' ALA . 1.2 m 64.64 -0.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -63.55 2.31 1.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -135.04 62.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 1.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.72 -56.25 4.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.586 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.54 -40.39 0.43 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.774 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.4 Cg_exo -58.55 -14.56 21.56 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.257 1.971 . . . . 1.0 112.048 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.86 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.33 -28.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.501 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.41 83.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.6 mtt -72.61 -27.4 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.604 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.46 14.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' MET . 45.6 t -136.54 -13.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.47 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.57 -35.48 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.02 -36.41 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -102.54 6.0 52.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.575 ' CG2' ' H ' ' A' ' 44' ' ' THR . 3.0 m -137.94 -140.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 1.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.575 ' H ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 62.14 -0.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.67 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 142.46 -6.7 2.21 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m-80 -107.81 78.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.16 -32.92 0.16 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.65 -18.98 10.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.717 0.294 . . . . 1.0 110.723 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 95.4 t -70.55 -25.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.55 0.29 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.454 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CH2' ' NH2' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -87.94 -33.48 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.149 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -69.75 -13.0 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.407 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 -43.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -78.19 -13.37 59.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CH2' ' A' ' 51' ' ' TRP . 15.3 tpp85 -89.92 -61.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -47.44 -27.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 59' ' ' HIS . 79.5 mttt -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.488 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.14 -79.9 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -136.02 -82.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.518 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.9 t-80 -141.16 -147.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.613 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.481 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 12.0 m-70 -99.29 -76.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -51.36 -49.64 61.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -51.65 96.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.433 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.509 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 7.7 ptt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 37.3 mm-40 54.25 106.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -94.97 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.74 36.03 3.35 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.61 137.95 33.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.81 113.64 4.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 1.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.4 t80 41.98 63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -153.21 54.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' TYR . 97.5 m-20 -137.88 45.19 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' ASN . 64.6 m-85 -50.89 -176.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.534 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -54.32 155.15 3.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.19 -128.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -147.15 54.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 1.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -51.56 90.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.633 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 3.3 m120 -161.7 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.639 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.3 -1.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.518 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -43.14 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.506 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' SER . 19.7 tt0 44.27 95.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.497 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.7 OUTLIER -165.16 168.62 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 22' ' ' THR . 3.6 tt0 65.02 -1.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 19' ' ' CYS . 5.7 p90 -57.6 -6.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.465 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.2 m -93.42 -38.69 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.5 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 4.1 t70 -101.77 28.26 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.55 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.18 -101.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.605 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.65 87.41 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.0 -73.26 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.611 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -15.3 27.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.08 15.74 20.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.21 84.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.604 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.07 42.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.41 -41.34 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.126 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.8 Cg_exo -66.46 -24.44 49.39 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.355 2.036 . . . . 1.0 112.079 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -24.31 61.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -99.92 -4.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.593 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.76 -32.35 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 38' ' ' VAL . 3.0 mmt -93.5 -21.79 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.72 14.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.232 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 36' ' ' MET . 58.3 t -129.69 -24.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.0 m-85 -81.93 -68.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.9 pp -49.09 -12.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.5 mm? -66.0 -38.47 88.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.655 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.12 31.12 0.97 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.151 -0.779 . . . . 1.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -179.22 134.93 0.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.836 0.35 . . . . 1.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.488 ' HG1' ' C ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 81.15 3.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.806 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.545 ' H ' ' ND2' ' A' ' 46' ' ' ASN . . . 158.79 78.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.603 ' ND2' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -142.9 15.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 1.0 110.615 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.21 -61.4 0.37 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.26 -3.49 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 1.0 110.364 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 51' ' ' TRP . 9.2 t -90.38 -61.16 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.6 3.93 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.536 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.478 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -90.79 -29.63 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.524 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -78.35 -24.04 46.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.84 -42.2 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.69 -21.56 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.665 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -72.51 -56.8 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -31.91 47.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -88.67 45.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.79 32.34 6.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -64.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 1.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -55.54 149.64 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -42.61 139.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 m80 -56.33 -26.96 54.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.561 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 2.2 m-70 -57.94 79.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 50.21 75.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.47 -160.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.99 28.78 8.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.625 -0.99 . . . . 1.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.93 144.13 15.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -151.21 173.34 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.553 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.93 114.27 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -154.82 59.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' TYR . 20.1 t-20 -152.19 42.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.547 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -7.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.601 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ASN . 46.0 m-85 -51.64 120.91 5.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.592 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.98 52.54 0.15 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.56 56.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 1.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.76 63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -151.41 36.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.4 66.31 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -100.4 101.61 12.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.506 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -140.01 141.02 36.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 p -99.5 22.98 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 22' ' ' THR . 2.3 tt0 -138.05 -41.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.502 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -50.37 -12.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.548 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.502 ' OG1' ' CE1' ' A' ' 21' ' ' TYR . 20.0 m -101.87 -31.0 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.578 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 1.6 t70 -99.76 22.52 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.33 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.72 82.58 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 1.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.95 -79.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t 54.11 33.13 17.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.58 3.82 79.41 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.0 46.63 26.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.307 . . . . 1.0 110.614 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -135.98 52.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.468 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.2 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.058 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.5 Cg_exo -65.79 -41.11 15.05 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.34 2.026 . . . . 1.0 111.963 -179.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.25 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.589 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.08 -33.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -42.62 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -72.37 -35.91 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.51 -29.5 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.98 35.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -132.44 -38.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.1 pp -68.38 -19.91 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.37 -40.15 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.31 92.49 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 40' ' ' LEU . 8.8 t -137.36 -140.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 1.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' HG1' ' A' ' 43' ' ' THR . 1.1 m 69.47 -64.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.51 56.96 0.47 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 5.0 p30 -89.08 -127.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 1.0 110.628 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -39.85 -28.35 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -58.82 -56.99 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.38 -20.32 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.427 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.12 -17.68 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.584 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -69.95 -31.89 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.584 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -74.7 -28.06 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.547 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.83 -54.13 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -62.15 -9.21 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.584 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -83.75 -64.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -57.4 -36.97 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 59' ' ' HIS . 15.1 mtpp -88.49 41.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.91 81.79 1.13 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 57' ' ' LYS . 12.4 m-70 -69.8 -41.66 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 1.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -55.58 -36.38 66.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.559 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -55.51 113.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 64' ' ' HIS . 1.4 m80 -54.15 158.79 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.62 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.599 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 45.8 50.03 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -95.14 42.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.534 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.62 39.33 2.39 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.28 177.22 53.7 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.45 146.24 48.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 1.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 90.2 m-85 -81.28 56.49 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.661 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.9 p-10 43.94 36.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.476 . . . . 1.0 110.454 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 11' ' ' TYR . 16.0 m120 -148.71 51.87 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.99 40.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.1 p90 -57.39 140.92 48.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.9 30.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -87.29 76.79 9.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 1.0 110.595 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.21 44.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.588 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' ALA . 9.2 t30 -154.56 53.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.51 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.519 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -90.78 60.24 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.585 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 11.9 t -57.04 177.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.491 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 17' ' ' SER . 2.7 tt0 -86.03 52.78 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.582 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.513 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 49.7 26.97 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.59 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 54.86 6.85 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 12.6 t80 -75.3 -10.4 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OE1' ' A' ' 18' ' ' GLU . 92.9 m -85.92 -33.72 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 25' ' ' LYS . 9.3 t0 -74.02 -19.34 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.529 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.14 -15.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 62.4 mttm -148.13 -101.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.507 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t 46.68 21.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.552 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 29' ' ' ALA . 2.2 m -160.73 29.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.89 0.05 3.73 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' SER . . . 56.34 109.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 1.0 110.566 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -83.69 -81.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -81.37 -33.63 0.68 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.627 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.0 Cg_exo -58.51 -17.4 34.22 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.881 1.721 . . . . 1.0 112.019 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.55 77.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -84.74 -18.25 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.68 -35.55 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.4 mtt -84.43 -34.9 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.75 -3.61 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 81.1 t -113.25 -8.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.611 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -22.84 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.738 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 -0.86 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.747 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -94.61 -8.71 37.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.429 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.58 -34.69 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.7 t -104.26 -140.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 1.0 110.429 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 43' ' ' THR . 31.0 m 39.56 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.792 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -153.79 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 m-80 41.34 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 1.0 110.642 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.32 -54.04 0.68 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.83 -10.59 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 1.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' C ' ' H ' ' A' ' 51' ' ' TRP . 42.3 t -81.45 -64.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -48.74 -13.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -70.95 -38.69 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.552 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.605 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -68.94 -25.42 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 55' ' ' ARG . 54.7 t -73.94 -58.28 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.89 -10.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -91.59 -59.2 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.535 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -54.79 -51.29 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.4 mptt -77.09 49.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.4 -93.61 1.99 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.76 -78.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 1.0 110.568 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.06 167.04 22.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.658 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 125.76 38.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.496 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -57.95 100.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.608 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 3.5 t-160 -163.81 84.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 63' ' ' HIS . 12.6 m80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.05 119.43 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.29 105.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.627 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -31.99 1.45 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.71 -121.97 21.1 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 7' ' ' PHE . 9.2 t0 -152.71 159.71 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.722 0.296 . . . . 1.0 110.612 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 83.3 m-85 -143.83 70.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.588 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.11 58.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' TYR . 63.7 t30 -144.47 46.45 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -57.94 79.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' ASN . 15.0 p90 -57.93 129.58 42.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.96 -121.03 3.25 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 52.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 1.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.55 43.32 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.504 ' C ' ' H ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -140.43 13.71 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.559 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -3.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 15' ' ' ASN . 5.6 t -94.24 91.12 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 2.2 mt-10 -153.79 171.5 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.589 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER 171.0 -25.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.606 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 22' ' ' THR . 14.4 pt-20 -174.52 -32.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.632 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.38 -10.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.647 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 20' ' ' GLU . 98.2 m -99.53 -35.96 9.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.19 31.57 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.571 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.24 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.662 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 30.75 4.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.944 0.402 . . . . 1.0 110.479 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.84 -61.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.507 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 52.63 38.11 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.338 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.69 3.49 89.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.62 -0.992 . . . . 1.0 110.62 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 40.96 62.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 1.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.33 44.24 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.512 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.578 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 170.71 -41.22 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.098 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.9 Cg_exo -67.56 -24.45 42.0 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.327 2.018 . . . . 1.0 112.038 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -37.05 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.78 7.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -50.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mmt -76.57 -36.47 57.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.11 -22.75 6.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.74 3.97 8.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.93 4.81 25.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -148.67 -16.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.52 31.33 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 -55.22 2.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.822 0.344 . . . . 1.0 110.605 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 p -72.31 -102.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -140.77 -38.2 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 5.6 p30 41.23 65.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 1.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.42 -42.71 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -145.05 7.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 1.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.9 t -91.98 -28.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.543 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.65 -7.45 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -77.88 -33.34 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -69.35 -26.79 64.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -68.07 -54.6 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.38 -26.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.545 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -82.08 -44.68 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.563 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.614 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -92.06 39.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.517 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.87 90.0 0.85 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -56.56 -15.38 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -44.37 102.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 62' ' ' HIS . 8.6 p80 -88.5 168.27 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.554 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 9.2 p80 -57.95 140.08 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.617 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.48 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.022 -0.989 . . . . 1.0 110.532 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -93.54 44.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -138.8 82.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -31.01 0.59 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -53.46 -54.52 29.59 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 48.55 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 1.0 110.658 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 2.4 m-85 -138.41 96.51 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.5 56.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -137.98 42.4 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.661 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -45.99 142.82 2.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -55.9 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -31.21 9.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.4 62.3 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -61.25 77.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 13' ' ' ALA . 31.3 m-80 -136.22 -33.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.642 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 68.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' ASN . 1.7 t -100.48 97.74 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.621 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -140.34 97.12 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.545 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' C ' ' H ' ' A' ' 21' ' ' TYR . 4.2 p -99.12 -175.46 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 62.39 -0.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' A' ' 19' ' ' CYS . 14.9 t80 -137.23 -34.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.7 m -85.2 -25.84 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.567 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.8 t70 -91.73 25.03 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.613 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.16 -102.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.627 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' SER . 2.7 mptp? -51.38 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.742 0.306 . . . . 1.0 110.6 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t 55.41 8.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -101.46 -79.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.571 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.37 28.84 0.07 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 50.5 98.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.682 0.277 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.76 41.02 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.85 -41.41 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.035 179.78 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.88 -12.89 37.82 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.315 2.01 . . . . 1.0 112.011 -179.598 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.31 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.511 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -89.41 -26.98 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -38.83 84.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.5 mmt -79.49 -46.71 16.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.717 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' MET . 88.1 t -97.16 -32.41 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.1 t80 -58.23 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.742 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.612 ' H ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.97 -45.64 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.476 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 2.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.592 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 40' ' ' LEU . . . -134.82 7.23 4.5 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 38.5 p -140.01 -38.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 1.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 24.6 p -102.94 -55.15 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.573 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -60.75 -0.55 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -104.05 -8.0 19.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 1.0 110.602 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.02 -43.99 1.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -74.97 -62.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 1.0 110.646 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.04 -19.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.16 -23.94 20.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.771 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -62.85 -31.3 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.585 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 t -68.88 -10.64 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' C ' ' H ' ' A' ' 55' ' ' ARG . 24.1 t -84.35 -50.17 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.48 1.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 53' ' ' VAL . 4.8 mmp_? -95.19 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -36.82 66.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -88.38 41.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.44 74.82 1.87 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -40.99 65.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 120.41 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.498 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 6.4 p80 -76.6 62.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -57.23 140.26 50.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.51 139.37 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.96 -1.019 . . . . 1.0 110.533 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -138.45 102.76 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.88 42.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.543 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.73 -52.82 0.57 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 57.47 173.17 0.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.07 -175.86 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 1.0 110.631 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -142.22 107.23 4.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -153.91 48.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.589 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.18 49.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.57 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -41.82 -67.16 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.94 165.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -94.78 -120.74 3.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.49 69.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.718 0.295 . . . . 1.0 110.555 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' GLY . 25.3 t0 -137.48 47.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.6 m-80 -139.22 -83.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.518 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 5.7 pm0 27.28 47.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.879 0.737 . . . . 1.0 111.705 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.5 p -41.1 106.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.623 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.48 94.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.75 44.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.55 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 22' ' ' THR . 37.2 mt-10 -142.86 -37.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.556 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' O ' ' CE2' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -55.42 -10.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.502 -179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 20' ' ' GLU . 2.4 m -101.18 -15.17 17.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' TRP . 1.7 m-20 -129.56 20.27 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.401 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.35 -101.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.688 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -73.95 72.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -162.1 -52.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.565 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 p -179.13 29.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.85 22.09 19.58 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.57 12.06 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.691 0.282 . . . . 1.0 110.654 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -121.73 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.439 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.89 -40.36 7.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.745 179.805 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.75 -39.81 84.37 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.29 1.993 . . . . 1.0 112.093 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.61 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 7.6 mt -91.22 -9.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -81.69 -38.98 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.6 mtp -79.52 -34.17 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.58 -16.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.39 -13.63 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.295 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.3 t80 -94.93 -64.5 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.95 -19.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 -47.26 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -83.35 9.5 61.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.751 -0.939 . . . . 1.0 110.751 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.619 ' CG2' ' H ' ' A' ' 44' ' ' THR . 22.2 m -142.41 -127.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 1.0 110.659 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.619 ' H ' ' CG2' ' A' ' 43' ' ' THR . 91.0 m 56.54 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.613 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -143.37 56.37 0.56 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.474 -1.05 . . . . 1.0 110.474 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -145.36 118.63 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 -179.697 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.8 -55.6 1.73 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.8 -48.94 69.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 1.0 110.57 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 t -43.06 -53.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.51 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.36 -57.37 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -44.19 -30.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.49 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 54' ' ' PHE . 5.4 m -80.03 -44.17 20.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.8 -2.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -117.16 -7.78 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -90.83 -24.88 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.35 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -86.7 -18.37 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.461 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -87.94 38.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.257 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -103.04 85.6 0.51 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -67.28 -19.58 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 1.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.0 96.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.13 140.69 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -163.53 136.98 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.46 146.33 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.552 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' ND1' ' OXT' ' A' ' 64' ' ' HIS . 1.5 t-80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.85 111.24 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -166.58 98.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.02 31.91 4.57 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.09 50.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -100.99 -174.63 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 1.0 110.562 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.42 159.8 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -141.2 43.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' TYR . 2.6 t30 49.18 39.98 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -45.47 94.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.482 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' ASN . 33.6 p90 -57.45 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -59.14 0.22 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.32 73.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 1.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -137.26 56.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLN . 55.3 m-20 -145.08 -81.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' ASN . 5.4 pm0 27.46 47.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.812 0.695 . . . . 1.0 111.734 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 t -146.68 125.25 12.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.533 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -137.13 123.38 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.13 109.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 22' ' ' THR . 25.2 tt0 70.85 6.71 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -60.96 -1.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.583 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 20' ' ' GLU . 21.8 m -93.33 -38.13 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 24' ' ' TRP . 26.4 t70 -99.41 28.95 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.64 -103.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 81.74 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 1.0 110.502 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.23 -50.48 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.628 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 p -156.33 17.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.68 11.85 8.7 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.06 15.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.19 58.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.42 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.178 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.77 -39.98 18.61 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.367 2.045 . . . . 1.0 112.092 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.8 -26.8 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -86.41 -43.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.493 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.83 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.491 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -49.65 56.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.455 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -49.44 -25.26 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.234 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.46 -19.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 41' ' ' LEU . 17.9 t80 -79.56 -66.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.19 -0.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -85.86 -25.21 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.566 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.94 -25.14 10.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.0 t -140.46 -140.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' N ' ' OG1' ' A' ' 43' ' ' THR . 58.7 m 56.93 -79.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.51 18.09 48.78 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.53 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -132.22 103.47 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.68 -20.37 2.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp -139.33 -18.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 1.0 110.589 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.35 -21.84 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 4.44 50.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.4 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -90.67 -22.48 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.451 179.872 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 m -95.04 -27.66 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.79 -18.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.537 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 3.0 t80 -101.44 -13.03 18.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -41.86 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -75.54 -38.98 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -86.95 41.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.059 0.457 . . . . 1.0 110.235 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.82 34.95 3.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -99.52 -33.57 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.34 88.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' HIS . 58.1 m-70 -146.3 121.88 10.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.534 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.06 130.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.53 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 5.7 p80 -57.25 129.01 39.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.545 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.542 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.13 82.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.68 41.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.66 42.68 1.95 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.43 -57.57 6.43 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 44.33 59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 1.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CD2' ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER 41.73 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.609 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -108.0 36.41 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.531 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 20.7 t30 49.48 41.38 20.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 4.9 m-85 -162.75 14.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.635 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -59.01 156.04 12.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.548 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.38 -129.72 2.72 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.986 -0.845 . . . . 1.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -173.14 54.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.568 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -61.03 76.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' ALA . 20.3 m120 -153.35 34.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.6 pt20 -99.58 64.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.27 132.76 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -100.04 95.31 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 p -101.65 52.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -174.49 -122.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.469 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 45.5 t80 39.98 23.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.753 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' GLU . 63.1 m -166.32 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.662 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.4 m-20 -113.16 21.29 15.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.481 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -42.35 -92.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.685 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -5.6 53.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.9 44.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.553 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -162.37 23.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.527 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . -99.17 -16.5 29.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.73 -2.2 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 1.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.23 73.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.556 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.29 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.11 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.75 -2.14 6.02 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.33 2.02 . . . . 1.0 112.014 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.15 18.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.445 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 72.8 mt -94.59 -7.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.424 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -52.35 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.6 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -0.32 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -93.95 6.96 46.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.194 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.28 -23.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -17.34 62.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.73 -35.34 4.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 3.8 mm? -84.54 28.2 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.426 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.32 -33.78 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.15 -102.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 1.0 110.553 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.51 ' N ' ' OG1' ' A' ' 43' ' ' THR . 72.0 p -44.43 -86.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 178.37 -68.25 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' GLY . 5.2 m-80 52.49 103.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 1.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.72 -39.0 2.88 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -46.49 8.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.1 t -47.26 -26.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.56 -45.34 22.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -42.18 -37.46 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.582 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.611 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -66.37 -55.09 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.02 -18.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 23.52 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.5 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.71 -31.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -29.14 27.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.428 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -92.28 41.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.515 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.99 -34.65 29.77 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -142.43 -62.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 1.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 42.53 40.41 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -97.62 -75.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -56.99 170.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -164.22 123.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.578 -179.901 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.82 127.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.614 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.38 53.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.44 -58.18 0.61 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 41.89 82.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -154.99 64.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 1.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -139.24 72.17 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -146.46 48.6 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 4.7 t-20 -145.43 46.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 5.1 m-85 -163.2 11.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.625 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.68 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.44 -122.51 2.48 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 43.54 64.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 1.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 42.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -100.24 6.75 44.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -71.92 64.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.533 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -53.08 118.93 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.644 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.61 125.53 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 p -87.0 172.32 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 67.74 6.1 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -98.4 6.13 47.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.569 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -88.21 -32.97 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.631 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -72.41 -14.35 61.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.591 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -58.29 -153.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.54 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 40.7 mtmt -57.61 79.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.7 t -104.4 33.21 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER 79.43 29.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.45 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.16 34.72 5.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 41.56 68.89 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.97 -33.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -82.26 -33.93 0.64 Allowed Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.435 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.5 Cg_exo -57.92 -35.21 98.91 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.974 1.783 . . . . 1.0 111.885 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.54 -27.99 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.528 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 63.0 mt -82.48 -10.61 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.462 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.499 ' C ' ' H ' ' A' ' 38' ' ' VAL . 20.2 mtt -63.5 -30.95 71.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.462 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.39 -2.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' A' ' 36' ' ' MET . 65.1 t -128.77 10.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.475 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 55.3 t80 -128.13 23.16 6.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' A' ' 40' ' ' LEU . 4.3 pp -138.77 -12.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.608 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -85.38 -26.13 26.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.034 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -103.87 -8.01 40.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.671 -0.972 . . . . 1.0 110.671 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' OG1' ' A' ' 44' ' ' THR . 9.0 p -134.82 88.9 2.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 43' ' ' THR . 3.2 m -177.42 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.15 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -136.29 14.21 4.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 p30 -63.22 70.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -155.21 -38.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.861 -0.895 . . . . 1.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -138.62 -16.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.35 -25.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.06 -33.87 29.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.256 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -48.05 -25.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.215 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -76.64 -44.42 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -82.56 -63.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.45 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -40.38 -34.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -39.26 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.715 -179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -48.08 -69.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.46 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' CB ' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.92 69.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 1.0 110.1 179.653 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -94.42 33.84 5.06 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -101.53 -21.22 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 1.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.62 158.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.605 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.04 163.42 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.532 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 1.4 m-70 -57.89 -171.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -164.26 125.51 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.596 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.548 179.953 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -149.6 94.53 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -170.97 101.66 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.0 30.8 4.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.07 111.19 3.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 143.42 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 1.0 110.617 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -103.7 -161.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 52.16 41.15 29.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 42.6 t30 -139.36 42.64 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 4.9 m-85 -163.32 147.08 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.556 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.9 -177.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.647 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.6 132.15 2.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -96.41 62.02 2.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.0 110.532 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -100.67 43.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -96.61 -34.61 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 1.8 pt20 -51.33 -23.24 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLU . 26.0 t 41.79 42.29 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.553 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.1 tp10 41.69 -165.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER 70.47 148.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.569 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 69.22 2.89 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -135.98 -35.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.633 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -89.8 -24.77 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.555 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' TRP . 50.7 t0 -90.05 3.6 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.431 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -59.35 -145.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.791 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.01 80.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.469 . . . . 1.0 110.626 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -139.53 17.49 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.555 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.27 31.48 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.658 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.19 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.39 44.34 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 1.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -136.06 57.03 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 168.99 -41.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.051 179.797 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.1 Cg_exo -65.1 -47.71 4.38 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.436 2.091 . . . . 1.0 112.045 -179.594 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.51 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -82.97 -36.7 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -68.48 -48.95 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.431 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -25.19 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -64.27 -33.85 76.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.48 4.98 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' A' ' 41' ' ' LEU . 74.8 t80 -93.6 -64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.577 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.24 -1.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt -102.08 0.68 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.65 1.94 3.31 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 t -102.11 -19.42 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -91.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.556 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.55 -65.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.31 103.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 1.0 110.612 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.02 -40.11 1.09 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -147.85 -17.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 1.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.6 t -71.01 -15.67 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.566 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.35 -2.46 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.9 -25.38 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 t -77.48 -17.72 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' NZ ' ' A' ' 57' ' ' LYS . 85.8 t -81.59 -56.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.65 -43.31 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 13.7 ttm180 -64.97 -47.47 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -53.34 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.477 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' NZ ' ' CG1' ' A' ' 53' ' ' VAL . 11.2 mttt -79.69 41.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.525 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.53 -31.11 73.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -55.68 16.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 1.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 t60 43.26 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.585 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 44.03 39.88 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -47.2 156.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -54.56 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.38 111.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.558 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 59.34 96.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.13 -36.39 1.5 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.98 150.81 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -152.04 171.63 17.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 51.9 t80 42.68 89.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -139.33 47.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' TYR . 20.0 t30 48.91 39.62 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -3.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.484 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -58.16 179.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . -168.29 -127.61 0.93 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.96 62.88 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 1.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.98 67.85 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -152.0 40.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.595 HE21 ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -84.76 57.55 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.573 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.66 125.46 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -134.74 -172.44 3.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.3 tt0 -106.57 9.14 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' O ' ' CZ2' ' A' ' 24' ' ' TRP . 41.1 p90 37.54 26.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.8 m -128.73 -33.49 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.562 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' LYS . 7.3 p-10 -107.22 22.96 15.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.798 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.86 -0.92 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.766 179.791 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' ASP . 1.1 pttt -173.06 39.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 1.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.24 -79.41 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.599 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m 53.53 37.92 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.49 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.8 4.86 67.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.6 56.99 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 1.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.17 -27.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -85.75 -40.32 0.6 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.763 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.9 Cg_exo -59.92 -48.29 12.94 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.287 1.991 . . . . 1.0 111.939 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.74 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -100.11 -20.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -46.08 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 38' ' ' VAL . 72.6 mtm -73.41 -21.83 60.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.556 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.43 15.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.216 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.1 t -132.78 -26.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.313 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 m-85 -75.48 -68.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.506 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -57.49 -4.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.1 tp -80.88 -58.22 3.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.686 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.34 -34.37 8.83 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.099 -0.801 . . . . 1.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.0 t -164.58 -136.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 1.0 110.686 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.45 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.4 m 63.52 -69.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.717 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.46 31.71 8.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -151.21 116.39 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -24.55 10.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -101.73 -16.6 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 1.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.13 -40.12 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' H ' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.81 -7.06 57.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.476 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -76.47 -47.52 22.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -52.46 -25.68 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.5 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ARG . 84.7 t -67.37 -87.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.59 -21.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.668 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.9 tpm_? -77.68 -73.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.439 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 58' ' ' GLY . 13.6 pttp -55.77 -22.47 24.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.739 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -71.68 41.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.502 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -153.55 61.36 0.38 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' HIS . 4.4 m170 -99.0 -64.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 1.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 8.1 t60 43.83 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.61 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 16.1 m-70 -142.39 167.13 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.569 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.75 171.41 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -56.74 169.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.552 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 50.4 t60 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.014 -0.994 . . . . 1.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -158.29 93.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 6.3 mp0 -93.14 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 -60.74 0.45 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . 51.87 -157.54 3.28 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 44.71 -170.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' N ' ' OD2' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -55.21 178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.581 179.921 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.87 50.8 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.3 t30 49.07 39.99 16.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -45.62 -87.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -53.9 -170.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.21 101.33 0.67 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.79 52.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 1.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -99.63 51.78 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -150.15 45.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.69 57.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.615 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -88.81 -167.66 1.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.564 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 42.73 63.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 p -128.67 46.56 2.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' THR . 35.4 mt-10 -155.41 -110.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.007 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.6 p90 38.4 23.88 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 120.976 0.417 . . . . 1.0 110.878 179.693 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.3 m -145.26 -36.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.572 -179.721 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 7.2 t0 -105.65 18.02 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.39 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.636 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 18.8 21.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.839 0.352 . . . . 1.0 110.604 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -85.26 -15.3 43.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.499 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.7 m 54.44 35.99 24.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.444 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.39 0.32 86.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.779 -0.929 . . . . 1.0 110.779 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.23 61.45 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 1.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.31 43.71 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.49 -41.39 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -66.86 -19.04 53.0 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.359 2.04 . . . . 1.0 112.027 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.5 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -86.73 -30.85 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -46.96 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -48.04 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.57 -15.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.369 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -103.6 -25.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -75.95 -66.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.618 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.73 -0.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.644 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.23 -45.09 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.593 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.13 45.03 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -101.71 -30.78 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -137.36 -87.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.68 -71.81 0.02 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 43.67 41.79 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 1.0 110.563 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.09 -49.58 0.06 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp -134.12 0.13 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.893 0.378 . . . . 1.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.78 -24.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 3.9 mm? -90.95 -13.89 32.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.52 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.507 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.5 t -72.76 -25.74 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.46 -73.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.36 -36.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -57.36 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 58' ' ' GLY . 8.0 mmmt -44.4 -39.6 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.02 42.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -59.98 -109.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -141.72 -80.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 1.0 110.57 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.58 156.34 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.618 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 2.7 p80 -46.66 141.73 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -48.34 133.43 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.579 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -55.85 168.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.561 179.981 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tpt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 1.9 mt-10 68.84 132.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.213 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 11.9 tt0 79.54 113.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.579 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 -32.98 1.41 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.84 98.59 1.58 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.38 113.57 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -93.06 153.75 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -153.99 53.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -138.69 42.43 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -42.23 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 11.2 p90 -44.35 148.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.03 132.75 3.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.37 50.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 1.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.38 69.42 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' SER . 97.9 m-20 -132.2 -86.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.43 25.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.945 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 15' ' ' ASN . 5.5 t -138.92 138.9 37.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.572 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.91 60.69 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' TYR . 1.6 p -147.99 138.0 22.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 54.59 8.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.557 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -71.93 -4.31 27.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.503 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 m -99.7 -32.9 10.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -89.95 22.09 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.571 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.78 -100.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.632 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 62.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 1.0 110.557 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 27' ' ' SER . 23.6 t -137.81 33.91 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.522 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.67 9.73 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.636 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.48 -31.5 9.37 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.19 74.47 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 1.0 110.594 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.35 -34.68 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.601 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.76 -40.22 0.67 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.1 Cg_exo -59.56 -51.01 6.87 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.272 1.982 . . . . 1.0 112.01 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.25 -30.99 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.703 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -80.24 -31.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.59 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.292 179.742 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -32.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 1.0 109.959 179.439 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -55.97 20.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.384 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.04 13.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.622 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -107.98 -46.0 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.722 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.47 -37.27 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.709 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.31 -25.05 42.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.458 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.27 -28.64 55.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 45' ' ' GLY . 9.6 t -171.9 -133.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 1.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' HG1' ' C ' ' A' ' 43' ' ' THR . 0.8 OUTLIER 71.31 -40.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -146.71 23.07 1.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -141.0 88.31 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.58 -47.86 0.41 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.64 -33.49 10.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 1.0 110.491 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.87 -15.23 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.78 -23.67 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -70.49 -31.03 67.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.577 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.528 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.6 t -81.38 -30.01 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.12 -65.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.19 -15.92 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.554 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 4.6 ttm180 -86.28 -54.68 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -42.21 -43.43 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.544 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -81.56 41.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.23 31.32 8.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -90.02 -53.01 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 1.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.421 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.4 t-80 44.22 -157.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -65.53 160.65 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.606 179.939 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -49.79 160.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -55.24 136.22 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.557 -179.975 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -135.5 -150.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 54.31 72.35 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.43 -30.72 0.2 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.1 111.77 3.44 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.14 107.29 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.324 . . . . 1.0 110.518 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -155.64 104.84 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -154.56 42.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -144.85 43.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -56.69 -57.11 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 31.6 p90 -57.58 179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.68 107.35 0.27 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 49.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 1.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -101.35 42.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -150.87 53.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.618 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.33 13.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 m -73.16 86.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.33 58.96 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.01 11.66 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.602 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.48 -39.19 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.5 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -74.39 -7.1 51.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -101.94 -24.25 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 58.0 t0 -97.37 27.74 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.75 -102.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.616 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.98 51.66 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 1.0 110.569 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -103.12 -76.94 0.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 m -171.97 26.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.579 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.98 22.18 72.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 43.51 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 110.534 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.24 35.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.435 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 172.35 -40.85 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.373 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.179 179.579 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.1 Cg_exo -67.01 -31.43 37.23 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.342 2.028 . . . . 1.0 111.952 -179.588 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.41 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.44 -25.49 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.406 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.63 -34.74 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 tp -53.65 -24.45 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.242 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -103.01 -3.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' O ' ' OG1' ' A' ' 43' ' ' THR . 57.4 t80 -87.28 3.9 44.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -121.94 -22.32 5.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -41.25 -34.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.651 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.96 56.64 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 44' ' ' THR . 63.6 p -102.0 -102.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 59.7 p -41.66 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' H ' ' HG1' ' A' ' 44' ' ' THR . . . -136.3 -71.57 0.06 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 42.07 89.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.81 -62.83 0.19 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -138.12 -1.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 1.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.57 -37.28 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.564 ' CD1' ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.52 -42.97 77.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.9 m -67.21 -44.63 79.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.17 -44.87 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -36.99 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.645 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -73.52 -46.48 47.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -41.47 -62.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.516 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.87 42.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.597 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -52.0 -41.11 51.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.11 -52.65 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 1.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' O ' ' NE2' ' A' ' 63' ' ' HIS . 5.3 t-80 43.93 25.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -2.1 42.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.17 -53.7 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.569 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 2.1 p80 -57.59 176.73 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.575 ' ND1' ' CE1' ' A' ' 63' ' ' HIS . 5.4 m170 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.618 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' H2 ' ' H ' ' A' ' 2' ' ' GLU . 13.2 mtm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.428 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 0.2 OUTLIER 47.44 77.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.613 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -100.25 58.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.607 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.21 -49.63 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.63 -130.86 10.36 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.81 147.09 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 1.0 110.534 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -96.39 117.36 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -147.09 43.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.609 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -153.4 58.05 0.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.27 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.05 135.91 57.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.39 82.26 0.14 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.3 53.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 1.0 110.581 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -90.44 61.94 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLN . 4.5 m-20 -134.71 -85.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ASN . 8.7 pt20 27.67 47.74 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.786 179.554 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.31 146.69 35.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.558 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.62 90.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' TYR . 13.6 p -164.79 -165.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' OE1' ' SG ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 53.85 7.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.55 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' A' ' 19' ' ' CYS . 3.0 p90 -81.51 2.93 26.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.512 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -100.81 -37.66 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TRP . 2.7 p30 -99.39 23.13 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.91 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.654 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -76.83 -95.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 110.667 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.546 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER 47.24 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.455 ' HG ' ' C ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -161.94 27.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.548 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.54 -5.97 66.75 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.78 109.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 1.0 110.635 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.34 38.88 2.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.467 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.63 -41.43 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.454 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.985 179.835 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.7 Cg_exo -66.2 -12.27 34.83 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.379 2.053 . . . . 1.0 111.931 -179.738 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.31 -32.51 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mt -80.26 -23.56 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.348 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.71 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.415 179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.455 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -64.27 -44.86 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.368 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.78 -10.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.425 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 36' ' ' MET . 68.4 t -108.64 -13.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.617 -179.89 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' CD2' ' OG1' ' A' ' 44' ' ' THR . 4.5 t80 -93.53 -35.73 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.74 -18.8 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -53.99 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.618 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.7 50.53 0.22 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.645 ' HG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -136.23 -55.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.54 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.645 ' N ' ' HG1' ' A' ' 43' ' ' THR . 87.1 m -86.49 -111.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -73.39 -64.19 2.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 58.39 117.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.773 0.32 . . . . 1.0 110.599 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.61 -24.72 2.18 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -100.42 -42.15 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 1.0 110.546 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.2 -18.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.508 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.66 -19.85 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.518 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.26 -32.67 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.547 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.45 -39.84 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.513 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.17 -23.76 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.06 4.0 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.17 -52.61 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.586 -179.943 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -66.28 -39.81 89.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.74 55.91 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.62 77.03 0.94 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -148.18 -80.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 1.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -53.69 164.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.595 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' HIS . 58.9 m-70 -100.96 83.82 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.583 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -57.16 84.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -49.32 173.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 1.0 110.543 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.433 -0.581 . . . . 1.0 109.433 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.86 89.49 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.601 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.45 76.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.44 -47.32 0.6 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.26 164.21 13.12 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -147.45 127.39 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 1.0 110.554 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -41.91 157.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.59 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -140.61 52.49 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 11' ' ' TYR . 5.9 t-20 -141.9 44.23 1.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -71.04 40.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.661 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.0 m-85 -57.6 129.63 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.62 77.67 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.62 56.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 1.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -138.76 46.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.573 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -140.05 15.17 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -75.85 67.15 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -73.22 41.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 16' ' ' GLN . 13.9 tt0 -159.76 144.05 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 56.5 m -156.35 74.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 54.77 12.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.548 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -96.95 -8.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.549 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -96.5 -28.42 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -80.58 -19.33 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.481 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ3' ' CE ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.41 150.71 11.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.702 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' CE ' ' CZ3' ' A' ' 24' ' ' TRP . 44.9 mtmt 40.76 47.67 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 25' ' ' LYS . 1.5 m 168.32 76.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.458 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -156.54 -79.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.5 30.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -143.38 26.48 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.044 -0.263 . . . . 1.0 110.52 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -121.91 -24.86 5.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.71 -33.95 0.52 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.617 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -57.35 -23.21 53.65 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.007 1.805 . . . . 1.0 111.999 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -39.27 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 13.4 mt -85.44 2.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.66 -32.98 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 17.0 mtt -86.06 -25.31 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.77 13.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 47.4 t -134.33 -13.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -57.26 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -2.74 22.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -96.1 -39.54 9.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.91 179.807 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.15 20.63 49.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.2 t -88.42 -142.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.622 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.483 ' H ' ' HG1' ' A' ' 43' ' ' THR . 63.7 p 36.57 -87.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.221 179.566 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.01 -45.17 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 4.9 p30 40.84 82.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.762 0.315 . . . . 1.0 110.638 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.88 -25.55 0.19 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -150.73 -29.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 1.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.35 -21.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 mt -84.68 -43.63 14.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.25 -39.41 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.594 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -70.9 -43.03 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.8 -31.97 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 63.8 t80 -85.85 -5.49 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.26 -45.65 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.947 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 13.1 mmtt -55.0 -60.56 3.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.96 71.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -97.21 -136.75 9.23 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -135.87 -83.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 1.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -164.05 178.58 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.671 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 3.0 p80 -89.96 150.12 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.58 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.665 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 7.6 t-80 -57.6 -164.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.665 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 14.9 t-80 41.59 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.621 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -135.49 -150.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 1.0 110.448 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 52.67 70.44 0.57 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.531 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 -33.92 0.26 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.15 -171.8 35.85 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' PHE . 1.2 p-10 -88.99 127.47 35.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 1.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' ASP . 0.8 OUTLIER 43.48 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -158.05 41.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.6 t-20 49.06 40.3 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.527 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' ASN . 5.5 t80 44.81 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.584 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -153.07 163.36 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.57 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.9 -37.13 1.91 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -86.43 66.08 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 1.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.65 42.23 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -156.08 32.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -25.4 12.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 m -57.98 93.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.38 140.87 27.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.613 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' C ' ' H ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -171.6 143.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.52 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.93 -39.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.73 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' A' ' 19' ' ' CYS . 3.8 t80 -59.35 -22.14 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.606 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.86 4.59 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' TRP . 27.3 t0 -139.95 20.83 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.604 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.98 -102.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.755 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.42 -117.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 110.561 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.542 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 78.39 21.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.517 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.91 -4.78 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.597 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.53 74.31 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.35 -1.64 27.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 1.0 110.496 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.14 72.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.558 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.48 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.121 179.788 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.5 Cg_exo -66.45 -22.6 51.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.419 2.079 . . . . 1.0 112.038 -179.629 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.85 -18.38 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.553 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -92.85 -22.27 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -38.22 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.511 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -83.77 -41.99 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.558 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.6 tp -45.03 -26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.454 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.79 -27.67 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD2' ' OG1' ' A' ' 43' ' ' THR . 24.5 t80 -74.41 -71.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -52.75 -9.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.525 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -72.32 -30.63 64.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.21 36.04 1.42 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.519 ' OG1' ' CD2' ' A' ' 39' ' ' PHE . 70.3 p -136.5 -75.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 43' ' ' THR . 65.3 p -51.4 -102.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . -81.95 -70.39 1.35 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.8 p30 41.32 95.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 1.0 110.789 179.891 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.63 -23.96 3.37 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 46' ' ' ASN . 2.3 tp -86.23 -8.69 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.328 . . . . 1.0 110.501 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -92.46 -21.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.24 -30.72 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.0 -28.06 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.574 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.516 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -80.87 -27.25 36.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.7 -71.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.59 -30.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -55.14 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -41.01 -59.61 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 53.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 60' ' ' HIS . . . -90.58 86.12 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.51 ' NE2' ' OXT' ' A' ' 64' ' ' HIS . 0.2 OUTLIER 48.97 11.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.827 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 58' ' ' GLY . 25.7 t-80 -74.16 -30.05 62.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.653 -179.74 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.616 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -81.29 -120.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.536 -179.92 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.616 ' N ' ' ND1' ' A' ' 61' ' ' HIS . 32.9 p80 -62.24 128.29 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -59.6 164.76 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.51 ' OXT' ' NE2' ' A' ' 59' ' ' HIS . 40.8 m170 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.016 -0.992 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' MET . 1.5 pm0 28.58 56.35 0.11 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.792 0.682 . . . . 1.0 111.6 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.94 48.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.547 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.43 -48.34 0.78 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.29 137.32 0.06 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -140.55 100.47 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 1.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 3.0 t80 -153.02 159.65 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.598 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.9 p-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.8 p-10 -106.79 35.99 2.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.81 86.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.576 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 40.38 34.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.439 0.637 . . . . 1.0 110.601 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.93 88.77 0.67 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.52 56.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 1.0 110.59 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -137.67 46.88 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.51 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 68.2 m-80 -137.51 -35.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.665 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.75 -1.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.521 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 28.6 t -42.01 122.16 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.566 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.69 -162.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.2 t 65.01 36.93 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 22' ' ' THR . 66.8 mt-10 -137.56 -43.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.571 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -62.08 -4.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.568 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 20' ' ' GLU . 23.5 m -102.06 -34.96 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.42 29.0 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.602 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.46 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.758 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.55 26.02 11.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -120.29 -84.06 0.66 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.257 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.08 22.48 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.416 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.73 6.61 65.49 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.674 -0.971 . . . . 1.0 110.674 -179.678 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.39 38.36 7.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.59 -28.05 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.324 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.1 -41.4 0.44 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 46.1 Cg_exo -54.04 -30.06 57.85 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.057 1.838 . . . . 1.0 111.603 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.87 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.014 179.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 75.0 mt -98.02 -10.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' ILE . 18.2 t80 -78.59 -42.84 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.546 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.78 -40.56 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.49 -25.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.49 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.98 -19.85 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' MET . 12.7 t80 -81.24 -59.71 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.99 -7.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.6 mt -84.16 -19.7 33.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.593 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.55 -26.23 16.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' GLY . 29.1 p -105.75 -139.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 45' ' ' GLY . 58.0 p 51.72 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -110.31 -66.56 0.55 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.1 p30 41.07 94.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 1.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 3.77 57.18 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.604 -0.998 . . . . 1.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.81 -23.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.2 t -92.91 -36.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.01 -19.05 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.56 -27.21 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.579 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.493 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -75.38 -24.86 57.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.0 t -68.58 -68.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.85 -2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.842 -179.871 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.38 -62.05 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.14 -179.655 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -41.64 -37.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.744 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -92.02 39.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 1.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . -58.17 -44.28 94.93 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 61' ' ' HIS . 60.1 m-70 -101.23 -56.74 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 1.0 110.569 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.557 ' ND1' ' CE1' ' A' ' 61' ' ' HIS . 25.1 t-80 41.5 -92.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' CE1' ' ND1' ' A' ' 60' ' ' HIS . 20.9 m-70 -41.71 139.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' A' ' 64' ' ' HIS . 19.1 m170 -46.11 168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -71.44 41.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.574 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.628 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 7.5 pm0 -137.92 77.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -103.34 -160.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.64 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.66 26.86 13.25 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.43 50.41 3.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -154.74 90.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 1.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -151.83 169.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.575 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.8 p-10 44.16 36.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -138.89 42.34 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' O ' ' A' ' 11' ' ' TYR . 1.5 t80 -164.11 112.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' O ' ' CE2' ' A' ' 10' ' ' TYR . 19.9 p90 -46.23 156.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.522 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.39 -114.71 0.31 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.85 67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.706 0.289 . . . . 1.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.34 40.17 3.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -107.96 -11.99 15.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.01 65.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.507 -179.896 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -93.08 42.66 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CG ' ' CD1' ' A' ' 21' ' ' TYR . 16.4 tt0 -140.54 114.76 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 21' ' ' TYR . 8.2 p -155.12 168.05 28.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 53.3 11.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CD1' ' CG ' ' A' ' 18' ' ' GLU . 1.3 p90 -97.21 -14.56 21.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.465 ' OG1' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -99.83 0.07 40.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.616 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.77 20.71 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.22 -88.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.612 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -84.68 -94.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.625 179.837 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.558 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 52.95 29.61 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.571 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t 52.49 37.02 21.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.44 11.47 84.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 45.95 48.6 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -134.79 61.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.18 -41.24 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.044 179.836 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.4 Cg_exo -65.16 -50.55 2.0 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.403 2.069 . . . . 1.0 111.963 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.5 -21.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -86.23 -40.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.248 179.852 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -67.17 -55.76 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.376 179.8 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -19.15 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.2 tp -90.52 -31.94 16.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.246 -179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 83.4 t -95.54 -1.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -23.14 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.605 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -108.97 -43.43 4.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.364 179.846 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 4.2 mm? -89.27 21.15 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.476 -179.883 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.99 -8.05 3.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.64 ' HG1' ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -93.15 -98.16 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 1.0 110.657 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.64 ' H ' ' HG1' ' A' ' 43' ' ' THR . 76.9 p -41.06 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.69 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -162.8 -73.82 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 42.57 21.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -141.89 -48.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.4 mt -93.58 -39.91 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 1.0 110.527 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.32 -10.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' LEU . 33.5 mt -94.6 -26.91 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -19.62 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.621 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -91.02 -22.59 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.52 -58.03 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.31 56.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -76.55 -56.42 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -41.58 -37.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -86.43 41.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.98 -30.99 18.91 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -150.07 -38.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -42.92 120.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -43.5 141.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 3.2 m-70 -163.8 0.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.508 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 14.7 p80 41.68 -164.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.591 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.618 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.553 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 53.21 101.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -166.43 98.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 -31.76 1.23 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.16 -167.03 38.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 42.79 69.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.564 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.41 157.14 42.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.587 179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t70 48.92 39.93 15.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 8.1 t30 -148.28 55.46 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 24.2 m-85 -161.88 68.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.509 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -56.71 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.7 61.49 2.03 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.16 49.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.511 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.95 49.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -148.26 47.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -82.24 -21.79 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.614 179.923 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER 44.66 -170.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.62 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' A' ' 17' ' ' SER . 6.3 mp0 -93.61 155.68 17.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.518 ' C ' ' H ' ' A' ' 21' ' ' TYR . 7.6 p -175.88 163.27 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 22' ' ' THR . 10.2 mt-10 55.05 6.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' CYS . 13.9 p90 -71.81 13.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 20' ' ' GLU . 3.3 m -91.64 -49.75 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.498 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' TRP . 5.9 t0 -104.28 28.64 6.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.505 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.54 -102.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.76 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -59.73 -117.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.42 179.888 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.527 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 m 56.9 49.54 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 79.64 -22.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.14 -179.703 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 30' ' ' LEU . . . -50.93 -10.64 0.45 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.683 -0.967 . . . . 1.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -74.3 25.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.103 -0.239 . . . . 1.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 28' ' ' GLY . 12.8 mt -109.81 -33.39 6.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.532 179.711 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.58 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -66.6 -40.85 35.64 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.751 -179.835 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.1 Cg_exo -58.37 -19.9 45.56 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.172 1.915 . . . . 1.0 111.799 179.857 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.76 -1.88 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.441 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mt -108.61 -15.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.403 179.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -47.57 67.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.801 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 ptp -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.03 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.81 -65.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.396 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.22 -9.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.519 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.67 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.661 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -29.33 68.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.606 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.91 18.39 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.569 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.46 -4.74 3.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 45' ' ' GLY . 14.5 t -101.93 -139.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.653 0.263 . . . . 1.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.1 p 52.08 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.72 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -162.72 52.27 0.31 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -138.14 99.27 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 1.0 110.533 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.22 -74.44 0.31 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -42.75 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 1.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.44 -26.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.465 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -82.49 -37.75 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.435 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.28 -37.53 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.56 -28.73 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.441 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -98.76 -9.29 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.701 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.3 t80 -101.01 -23.45 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -92.65 -44.98 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.621 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.69 -60.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -72.95 49.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.99 -129.63 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -137.2 -83.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 1.0 110.612 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -163.23 144.75 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.607 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -68.46 90.61 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.588 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -52.93 123.86 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -46.47 128.12 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' H3 ' ' H ' ' A' ' 2' ' ' GLU . 15.0 mmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 2.1 mt-10 68.28 129.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.152 -179.818 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER 78.4 104.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.579 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.4 4.96 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.47 -133.28 0.49 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.53 153.29 44.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 1.0 110.557 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -164.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -146.72 47.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -155.84 41.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.493 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -54.43 98.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -46.41 156.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.95 63.93 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 55.34 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 1.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -86.22 57.25 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.03 44.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.07 63.85 8.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.55 129.75 19.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -160.57 112.9 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 p -147.24 152.03 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.53 -63.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -69.66 -0.35 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.513 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.95 17.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.558 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -138.36 4.97 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.88 -166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.529 179.945 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -30.47 86.64 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.594 0.559 . . . . 1.0 111.72 -179.857 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 24' ' ' TRP . 2.7 t -125.59 -21.61 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m 61.3 29.14 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 29' ' ' ALA . . . 79.18 1.31 85.42 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' GLY . . . 50.67 102.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 1.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -98.58 -67.15 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -82.36 -40.33 0.91 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.807 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 28.0 Cg_exo -58.87 -32.24 96.91 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.307 2.004 . . . . 1.0 112.063 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.43 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.6 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.7 -38.38 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -33.41 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.7 mmt -79.97 -49.11 12.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.42 -22.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.774 -179.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.4 t -101.64 -30.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.551 179.85 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.8 OUTLIER -81.58 29.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.718 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 38' ' ' VAL . 1.9 pp -168.11 -0.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.792 179.885 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -27.07 68.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.253 179.865 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.47 35.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -54.95 2.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 84.5 m -75.02 -105.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.567 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.526 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -114.8 -81.87 1.01 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.532 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER 60.39 128.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 1.0 110.47 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -31.49 0.88 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -99.82 -34.12 10.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 1.0 110.492 179.888 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 t -64.41 -50.81 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.48 -40.86 96.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.32 -41.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.943 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 12.5 m -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.7 t -72.31 -52.14 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.405 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -42.73 -31.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -76.5 -33.24 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' VAL . 23.5 mmtm -67.15 -9.53 40.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.795 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -95.07 40.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.395 179.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.39 65.94 1.0 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' HIS . 74.2 m-70 -146.29 -64.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' HIS . 19.4 t-160 41.37 -96.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.643 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 1.5 m-70 37.5 -89.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.157 179.748 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' HIS . 3.4 m-70 -162.57 169.96 19.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.584 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -54.79 94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.595 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 1.0 110.609 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -134.32 -26.22 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.453 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.29 -40.23 0.71 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.769 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.7 Cg_exo -58.62 -37.04 96.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.311 2.007 . . . . 1.0 112.01 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.477 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -86.92 -38.84 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -37.65 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -75.08 -46.97 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.802 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.4 tp -50.21 -24.93 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.296 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 38' ' ' VAL . 92.8 t -99.5 -11.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.438 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 43' ' ' THR . 26.0 t80 -89.38 -69.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 41' ' ' LEU . 1.9 pp -48.8 -24.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 37' ' ' LEU . 2.1 mm? -60.16 -30.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.39 6.02 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 11.0 p -101.62 -139.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.8 m 56.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.1 54.43 0.53 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.826 -0.909 . . . . 1.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 1.0 110.566 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 1.0 110.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 50' ' ' LEU . 25.0 t -75.07 -75.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.75 -14.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -70.43 -51.29 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.533 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.4 t -61.79 -22.99 65.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HD3' ' A' ' 57' ' ' LYS . 86.7 t -68.67 -53.85 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.679 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -79.29 20.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -13.92 8.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 14.0 pttp -102.6 -41.03 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -89.75 37.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.959 0.409 . . . . 1.0 110.282 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 1.0 110.527 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.36 -78.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.527 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -83.23 -33.65 0.58 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.584 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.9 Cg_exo -58.79 -29.36 89.61 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.957 1.771 . . . . 1.0 111.966 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.64 -33.85 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -87.47 -36.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -77.68 -29.19 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.52 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 mm? -72.13 14.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 82.1 t -139.06 -18.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.473 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -84.47 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.48 -16.57 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.584 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 mt -75.35 -15.64 60.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.1 -48.22 2.09 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -149.8 -138.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 1.0 110.639 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.548 ' N ' HG23 ' A' ' 43' ' ' THR . 6.5 m 60.98 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -98.62 28.36 15.36 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 1.0 110.595 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.733 0.301 . . . . 1.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.44 -37.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.699 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.7 -44.78 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.594 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.78 -38.24 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 18.5 m -70.71 -54.58 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -48.21 -21.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.605 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.33 23.78 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.0 mtp180 -130.97 -56.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.558 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -48.15 -52.8 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -77.85 41.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.738 0.304 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.2 mt -110.79 -28.54 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -72.81 -40.46 6.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.2 Cg_exo -58.31 -25.9 74.72 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.349 2.033 . . . . 1.0 112.021 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.32 -36.49 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 34' ' ' ILE . 21.7 mt -84.88 6.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.28 -30.78 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.4 mtt -90.33 -33.26 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.703 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.3 mm? -56.56 -5.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.603 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 48.8 t -111.97 -14.54 10.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.709 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.7 -74.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -35.42 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.686 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 37' ' ' LEU . 5.5 mp -47.05 -31.47 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.47 67.17 0.1 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 44' ' ' THR . 12.2 t -129.0 -35.59 1.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 1.0 110.554 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' THR . 0.6 OUTLIER -102.05 -87.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -165.06 43.42 0.29 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 1.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' LEU . 24.0 tp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.862 0.363 . . . . 1.0 110.409 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 53' ' ' VAL . 60.9 t -47.53 -20.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 46' ' ' ASN . 11.0 mp -91.1 -38.07 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -60.66 -32.4 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.614 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.8 t -81.59 -32.3 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 49' ' ' VAL . 16.3 t -56.03 -56.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -65.24 -19.21 65.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -81.64 41.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.702 0.287 . . . . 1.0 110.56 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -114.13 -25.54 8.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.02 -34.03 0.72 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.491 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.4 Cg_exo -58.53 -25.87 76.14 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.882 1.722 . . . . 1.0 112.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -73.64 -35.15 65.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -85.86 -19.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.73 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.549 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 21.5 mtt -78.95 -35.82 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -55.24 -7.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.306 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 2.8 t -130.37 21.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -126.9 -36.75 2.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.89 -24.63 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -87.04 -25.69 24.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.34 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.6 -24.39 56.29 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -171.57 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 1.0 110.668 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.579 ' N ' HG23 ' A' ' 43' ' ' THR . 3.8 m 62.61 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.61 17.62 49.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.564 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 51' ' ' TRP . 1.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.798 0.332 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -71.91 -25.39 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.07 4.46 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.505 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -89.77 -33.04 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.439 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -75.6 -30.05 59.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.43 -42.68 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -31.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.655 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -60.0 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -48.44 -51.97 24.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -72.89 62.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.643 0.259 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mt -116.42 -31.03 5.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -77.96 -40.23 1.95 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.836 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.4 Cg_exo -59.9 -53.18 3.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.33 2.02 . . . . 1.0 112.002 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.97 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.655 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mt -80.4 -28.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 1.0 110.102 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -74.36 -60.14 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.239 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.86 -26.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.113 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -56.04 25.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' LEU . 2.0 t -73.11 -2.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.637 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 40.6 t80 -84.92 -73.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.15 -7.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.3 mt -66.83 -37.11 83.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.77 51.82 0.29 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 44' ' ' THR . 12.1 t -101.39 -46.31 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 1.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.598 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 p -100.77 -56.32 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.95 -45.8 0.31 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.729 0.299 . . . . 1.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.86 0.362 . . . . 1.0 110.543 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.94 -54.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -41.59 -45.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.51 -36.67 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 17.6 m -79.84 -52.41 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -51.85 -25.3 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -89.59 -18.43 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.556 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -44.42 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -63.57 -46.51 85.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.593 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -77.92 55.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.746 0.307 . . . . 1.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.44 -82.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.77 -33.59 0.72 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.619 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.9 Cg_exo -57.91 -13.49 15.2 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.943 1.762 . . . . 1.0 112.01 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.56 -32.16 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.503 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -84.99 -17.97 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -73.23 -34.67 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mmt -80.49 -29.92 37.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.31 14.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 96.6 t -137.38 -18.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -85.57 -66.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -56.84 -13.59 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 -44.56 21.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.95 -35.7 49.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.717 -0.953 . . . . 1.0 110.717 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.674 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -169.58 -135.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.634 0.254 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m 56.77 -74.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.193 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -74.65 22.68 1.36 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.521 -1.031 . . . . 1.0 110.521 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 1.0 109.876 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.4 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.774 0.321 . . . . 1.0 110.501 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG21 ' HA2' ' A' ' 45' ' ' GLY . 48.4 t -51.51 -9.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.498 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' LEU . 24.7 mt -96.9 -41.65 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.537 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -59.11 -11.24 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.642 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -101.43 -18.58 15.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 49' ' ' VAL . 43.0 t -72.7 -18.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.498 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -102.78 0.42 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.589 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mmp_? -106.44 -49.71 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.48 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -50.06 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.491 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.08 41.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.528 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.26 -81.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.31 -33.72 0.77 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.551 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.9 Cg_exo -58.35 -35.49 98.64 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.852 1.701 . . . . 1.0 112.037 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.41 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.587 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -86.63 -42.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.463 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.73 -31.87 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.554 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mtt -88.82 -35.61 16.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 41' ' ' LEU . 17.4 tp -55.64 -17.26 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.1 19.48 7.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.271 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 17.3 t80 -124.44 5.97 8.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -138.92 -30.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.786 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 37' ' ' LEU . 1.6 mm? -41.34 -37.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.43 60.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -133.83 -60.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 1.0 110.732 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' OG1' ' A' ' 43' ' ' THR . 0.0 OUTLIER -78.77 -27.0 44.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.543 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.94 -43.5 1.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.9 p-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 1.0 110.669 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -84.51 -30.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.515 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 50' ' ' LEU . 5.4 mt -74.74 -5.83 45.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.469 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.458 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -73.43 -45.52 53.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -64.62 -40.33 95.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.524 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.93 -36.4 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 39.9 t80 -78.98 -8.03 58.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -85.42 -63.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.523 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 5.5 pttp -51.58 -40.03 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 9.0 mttm -75.44 69.27 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.712 0.292 . . . . 1.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.48 -27.98 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.37 -33.5 0.53 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.679 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.2 Cg_exo -57.28 -30.18 86.62 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.977 1.785 . . . . 1.0 111.956 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.627 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -66.12 -37.12 84.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 34' ' ' ILE . 8.4 mt -84.87 -5.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.512 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.446 ' C ' ' H ' ' A' ' 37' ' ' LEU . 5.0 t80 -88.05 -56.77 3.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.553 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.602 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -72.08 10.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.457 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -104.67 6.66 34.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.893 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -136.55 -21.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -73.49 -39.39 64.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.57 -49.77 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.35 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.28 -50.99 20.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.42 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.55 -6.91 67.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.7 HG22 ' N ' ' A' ' 44' ' ' THR . 31.7 m -138.68 -122.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.7 ' N ' HG22 ' A' ' 43' ' ' THR . 11.6 m 60.09 -75.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.639 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.62 57.18 0.49 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 1.0 110.343 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.725 0.298 . . . . 1.0 110.361 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' HA2' ' A' ' 45' ' ' GLY . 40.5 t -52.17 -30.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.39 -44.97 23.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.94 -35.93 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.553 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.565 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.9 m -67.78 -48.99 64.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.586 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.34 -34.54 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 51.9 t80 -78.7 -8.67 58.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.57 -51.24 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.657 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -41.54 -51.62 3.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -77.36 42.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.609 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.15 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -85.09 -34.16 0.51 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.605 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.8 Cg_exo -57.26 -16.69 23.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.861 1.707 . . . . 1.0 111.959 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.48 -30.0 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -82.16 -17.52 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.73 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mtt -64.32 -36.77 85.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.75 ' O ' HD22 ' A' ' 41' ' ' LEU . 2.3 mm? -67.36 6.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.7 t -134.24 -3.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.462 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.69 -58.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.567 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.7 OUTLIER -65.85 -32.36 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.614 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 37' ' ' LEU . 6.2 mp -51.3 -46.25 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.18 11.88 55.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 44' ' ' THR . 2.6 m -138.36 -140.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.315 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.688 ' H ' HG22 ' A' ' 43' ' ' THR . 84.2 m 56.45 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.616 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -149.47 40.1 0.89 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.559 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 6.2 p-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 1.0 110.633 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.4 t -85.82 -8.39 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -96.3 0.73 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.567 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.556 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.0 -21.83 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.449 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.421 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -86.47 -20.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.488 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.24 -42.58 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -80.84 -10.84 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.615 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -95.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.53 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.512 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.87 40.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.759 0.314 . . . . 1.0 110.643 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.9 -55.49 29.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -95.81 -41.48 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.972 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -56.34 -10.29 4.59 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 112.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -79.28 -32.85 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.599 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mt -92.49 -19.04 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.8 -37.17 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 mtt -81.77 -41.04 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -51.27 -32.87 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -85.1 -21.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 43' ' ' THR . 69.0 t80 -77.58 -62.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.82 0.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.2 mt -86.17 -18.62 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.07 12.83 4.42 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.671 HG21 ' CE1' ' A' ' 39' ' ' PHE . 43.6 p -136.34 -140.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 1.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.495 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 1.1 p 52.05 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -129.03 -54.01 0.11 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.3 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 1.0 110.511 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.744 0.307 . . . . 1.0 110.768 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 51' ' ' TRP . 2.1 t -81.31 -58.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 50' ' ' LEU . 2.1 pp -59.08 -1.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.5 -34.14 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.715 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -76.05 -26.99 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.571 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 77.6 t -71.35 -74.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.22 -22.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -80.31 -66.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.38 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.42 -49.84 12.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -80.98 48.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.414 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.58 0.229 . . . . 1.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.48 54.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.638 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.87 -41.47 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.087 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.8 Cg_exo -67.53 -40.22 10.82 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.366 2.044 . . . . 1.0 112.076 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.648 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.78 -15.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.609 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -100.44 -26.11 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -46.53 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.587 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtt -71.52 -34.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 mm? -59.6 -20.56 56.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.46 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.9 t -103.95 -17.47 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -78.59 -67.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.89 -36.12 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -52.43 -36.06 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.459 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.74 1.41 58.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 44' ' ' THR . 2.7 m -135.31 -142.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 1.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.738 ' H ' HG22 ' A' ' 43' ' ' THR . 0.3 OUTLIER 68.05 -10.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.733 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 135.5 33.83 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.326 . . . . 1.0 110.573 -179.836 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.746 0.308 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -81.86 -23.92 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.77 5.74 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.605 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -92.66 -30.77 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.473 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -83.08 -29.3 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.28 -44.64 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.43 -19.63 62.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.593 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -58.26 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -50.58 -51.83 44.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.578 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 57' ' ' LYS . 3.1 mptp? -71.89 58.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.79 0.329 . . . . 1.0 110.609 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.9 mt -86.96 -44.54 11.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -92.26 -40.76 0.36 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.878 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -58.36 -30.45 91.24 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.268 1.979 . . . . 1.0 112.095 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.63 77.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.651 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -85.25 -37.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -39.13 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.42 -42.76 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 mp -56.07 -5.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.7 t -118.14 -5.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.553 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 8.2 t80 -104.57 -6.59 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -132.41 -12.97 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -47.88 -47.03 32.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.08 31.51 0.35 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.5 p -124.17 -144.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.362 -0.236 . . . . 1.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.4 p 37.84 -89.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -139.82 -45.29 0.07 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.729 -0.949 . . . . 1.0 110.729 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.9 p30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.836 0.35 . . . . 1.0 110.413 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 51' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.664 0.269 . . . . 1.0 110.771 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 52' ' ' THR . 2.7 t -81.84 -16.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 1.0 110.408 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.2 -31.6 16.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.538 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.07 -11.63 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.711 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.3 t -90.34 -26.56 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 55' ' ' ARG . 51.3 t -73.34 -76.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -39.65 -23.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.771 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.8 tpt180 -79.82 -61.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.517 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -48.8 -53.17 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 1.4 mtmp? -77.17 40.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.772 0.32 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.72 71.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.57 -41.32 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.067 179.787 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.76 -22.92 49.03 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.88 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.64 -26.88 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -37.63 82.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 8.6 mtt -75.93 -32.98 59.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.09 11.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.2 t -137.89 -5.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 67.7 t80 -99.13 -64.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.64 -16.66 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.25 -58.22 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 37.56 1.8 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 44' ' ' THR . 2.9 t -60.01 -37.62 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 1.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 43' ' ' THR . 73.2 p -95.44 -71.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -156.39 -66.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' GLY . 4.9 m-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 1.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 45' ' ' GLY . 47.5 t -55.23 -24.74 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -84.44 -35.88 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -49.16 -29.0 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.576 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 m -74.63 -53.41 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.29 -54.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -50.29 -16.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.57 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 3.7 mtp180 -101.34 -40.7 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.85 41.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.48 -80.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.83 -33.61 0.66 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.2 Cg_exo -58.05 -28.04 81.87 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.895 1.73 . . . . 1.0 112.046 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -24.48 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -87.6 -27.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -63.27 -51.63 65.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.8 mtt -61.46 -42.85 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.671 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.4 mm? -56.87 -4.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.1 t -132.7 7.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.467 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -112.22 1.82 16.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.17 -18.84 2.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.675 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 37' ' ' LEU . 7.0 mp -56.07 -57.55 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.594 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.93 46.39 0.8 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 t -81.72 -30.12 32.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.335 . . . . 1.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -90.81 -83.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.46 18.34 0.37 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 1.0 110.511 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 51' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.769 0.318 . . . . 1.0 110.461 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.92 -22.42 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.507 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.3 mt -89.17 -25.38 21.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.22 -11.99 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.222 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.3 m -89.14 -53.49 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.404 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.9 t -44.33 -61.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.594 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -61.96 3.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.248 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -112.34 -59.4 2.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.32 . . . . 1.0 110.95 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -43.63 -41.96 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.829 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -90.06 39.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.383 . . . . 1.0 110.32 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.642 0.258 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.51 -27.95 3.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -82.33 -33.85 0.64 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.493 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.8 Cg_exo -58.36 -23.96 65.84 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.931 1.754 . . . . 1.0 111.919 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.504 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.684 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -88.0 -27.54 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.479 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -63.79 -30.62 71.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.3 mtt -78.61 -37.06 43.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.08 -28.91 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.2 3.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -104.2 0.4 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 1.9 pp -142.13 -20.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.659 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.81 -32.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.88 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -98.53 -45.78 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 1.0 110.616 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 43' ' ' THR . 4.5 p -99.61 -96.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.55 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -104.02 -79.44 1.33 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.615 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.821 0.343 . . . . 1.0 110.422 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.518 HG23 ' HA3' ' A' ' 45' ' ' GLY . 72.5 t -53.7 -23.64 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.95 -34.02 33.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -54.64 -33.22 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.614 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.59 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m -72.28 -38.51 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.594 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.89 -45.31 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -29.6 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.597 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -47.33 -52.47 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -75.12 57.48 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.724 0.297 . . . . 1.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.68 57.92 1.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.3 -41.4 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.077 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.6 Cg_exo -65.62 -34.49 41.47 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.338 2.026 . . . . 1.0 112.073 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.764 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -67.16 -7.03 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.12 -17.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.07 -46.39 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -76.7 -36.25 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.459 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 33' ' ' ALA . 3.5 mp -49.73 -17.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.543 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' MET . 65.7 t -100.66 -21.52 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -84.48 -53.58 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.52 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.39 -8.69 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -42.15 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.69 -53.4 5.44 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -148.55 -136.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 1.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.575 ' N ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER 71.46 -40.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -158.36 52.61 0.39 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 m120 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.616 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.873 0.368 . . . . 1.0 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.0 t -82.43 -57.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -4.25 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.488 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -78.65 -34.5 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.568 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -67.68 -22.75 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.57 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.76 -33.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -79.02 -10.75 59.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.574 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -92.35 -53.77 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.629 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -48.55 -54.57 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.92 53.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.748 0.308 . . . . 1.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.5 -29.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -81.68 -40.29 1.0 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.786 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.4 Cg_exo -58.37 -32.97 97.34 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.265 1.976 . . . . 1.0 111.977 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.91 -26.31 64.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.1 -33.14 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.528 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -45.56 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.3 ptp -64.45 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.479 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -42.74 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.46 32.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.616 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.675 ' O ' HG22 ' A' ' 43' ' ' THR . 62.9 t80 -124.72 -44.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.503 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.65 -28.92 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -89.58 -5.83 56.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.548 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.812 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -103.81 -23.18 8.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 44' ' ' THR . 3.0 t -97.04 -114.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 1.0 110.65 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.683 ' H ' HG23 ' A' ' 43' ' ' THR . 17.4 p -41.5 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.631 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.84 -21.4 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.919 . . . . 1.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.567 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.8 p-10 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 1.0 110.622 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.92 -31.54 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 52' ' ' THR . 7.9 mt -71.12 -38.23 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -46.22 -20.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.573 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 50' ' ' LEU . 23.2 m -86.78 -60.35 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.3 t -50.23 -45.89 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.593 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -34.98 71.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -80.17 -39.74 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.587 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -45.09 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' ARG . 5.2 mmtt -93.21 40.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.72 0.295 . . . . 1.0 110.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.64 -27.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -83.27 -40.33 0.8 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.722 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.2 Cg_exo -57.65 -34.08 97.6 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.252 1.968 . . . . 1.0 111.996 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.64 68.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.03 -23.16 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.394 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -34.34 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.488 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.3 -41.42 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.552 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 41' ' ' LEU . 44.1 mt -57.55 -3.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.625 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.7 t -120.91 -2.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.342 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -111.75 10.11 20.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.804 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.55 -33.34 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 37' ' ' LEU . 4.2 mp -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.17 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 44' ' ' THR . 1.3 t -102.99 -13.0 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 1.0 110.513 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 43' ' ' THR . 1.3 p -137.09 -41.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.498 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 160.9 -59.28 0.3 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 1.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 49' ' ' VAL . 56.8 t -71.26 -12.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.86 -30.03 15.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -66.54 -8.28 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.625 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.5 t -97.69 -25.46 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.61 -48.89 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.602 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -14.9 63.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -81.86 -69.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -83.49 55.07 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.444 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.362 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.72 -56.25 4.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.586 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.54 -40.39 0.43 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.774 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.4 Cg_exo -58.55 -14.56 21.56 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.257 1.971 . . . . 1.0 112.048 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.76 -32.86 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.33 -28.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.501 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.41 83.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.6 mtt -72.61 -27.4 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.604 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -72.46 14.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 45.6 t -136.54 -13.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.47 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.57 -35.48 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.02 -36.41 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -102.54 6.0 52.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 44' ' ' THR . 3.0 m -137.94 -140.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 1.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER 62.14 -0.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.67 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 142.46 -6.7 2.21 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 6.1 m120 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.717 0.294 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 95.4 t -70.55 -25.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.55 0.29 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.454 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.559 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -87.94 -33.48 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.149 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -69.75 -13.0 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.407 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 -43.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -78.19 -13.37 59.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CH2' ' A' ' 51' ' ' TRP . 15.3 tpp85 -89.92 -61.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -47.44 -27.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.754 0.311 . . . . 1.0 110.604 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.07 42.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.41 -41.34 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.126 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.8 Cg_exo -66.46 -24.44 49.39 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.355 2.036 . . . . 1.0 112.079 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -24.31 61.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 34' ' ' ILE . 62.9 mt -99.92 -4.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.76 -32.35 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.489 ' C ' ' H ' ' A' ' 38' ' ' VAL . 3.0 mmt -93.5 -21.79 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.72 14.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.232 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.489 ' H ' ' C ' ' A' ' 36' ' ' MET . 58.3 t -129.69 -24.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.0 m-85 -81.93 -68.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.9 pp -49.09 -12.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.5 mm? -66.0 -38.47 88.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.655 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.12 31.12 0.97 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.151 -0.779 . . . . 1.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.2 t -179.22 134.93 0.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.836 0.35 . . . . 1.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 81.15 3.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.806 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 40' ' ' LEU . . . 158.79 78.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 43' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 1.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 1.0 110.364 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.454 HG21 ' H ' ' A' ' 44' ' ' THR . 9.2 t -90.38 -61.16 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.6 3.93 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.536 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.441 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -90.79 -29.63 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.524 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -78.35 -24.04 46.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.84 -42.2 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.69 -21.56 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.665 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -72.51 -56.8 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -31.91 47.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -88.67 45.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.744 0.307 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -135.98 52.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.468 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.2 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.058 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.5 Cg_exo -65.79 -41.11 15.05 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.34 2.026 . . . . 1.0 111.963 -179.656 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.25 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.589 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.08 -33.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -42.62 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -72.37 -35.91 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.51 -29.5 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.98 35.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -132.44 -38.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.1 pp -68.38 -19.91 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.37 -40.15 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.31 92.49 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 44' ' ' THR . 8.8 t -137.36 -140.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 1.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.541 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 m 69.47 -64.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.51 56.96 0.47 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.9 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 1.0 110.269 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.38 -20.32 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.427 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 50' ' ' LEU . 3.7 mm? -91.12 -17.68 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.584 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -69.95 -31.89 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.584 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -74.7 -28.06 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.547 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.83 -54.13 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -62.15 -9.21 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.584 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -83.75 -64.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -57.4 -36.97 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -88.49 41.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.928 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.784 0.326 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -83.69 -81.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -81.37 -33.63 0.68 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.627 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.0 Cg_exo -58.51 -17.4 34.22 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.881 1.721 . . . . 1.0 112.019 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.55 77.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -84.74 -18.25 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.68 -35.55 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.4 mtt -84.43 -34.9 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.75 -3.61 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 38' ' ' VAL . 81.1 t -113.25 -8.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.611 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -22.84 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.738 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 -0.86 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.747 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -94.61 -8.71 37.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.429 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.841 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -101.58 -34.69 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.7 t -104.26 -140.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 1.0 110.429 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' N ' ' A' ' 45' ' ' GLY . 31.0 m 39.56 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.792 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 44' ' ' THR . . . -153.79 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 1.0 110.642 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.784 0.326 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.474 ' C ' ' N ' ' A' ' 51' ' ' TRP . 42.3 t -81.45 -64.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -48.74 -13.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -70.95 -38.69 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.552 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.605 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -68.94 -25.42 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.7 t -73.94 -58.28 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.89 -10.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -91.59 -59.2 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.535 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -54.79 -51.29 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.4 mptt -77.09 49.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.976 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.857 0.361 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.33 44.24 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.512 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.578 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 170.71 -41.22 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.098 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.9 Cg_exo -67.56 -24.45 42.0 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.327 2.018 . . . . 1.0 112.038 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -37.05 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.78 7.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -50.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mmt -76.57 -36.47 57.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.11 -22.75 6.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.74 3.97 8.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.93 4.81 25.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -148.67 -16.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.52 31.33 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 -55.22 2.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.822 0.344 . . . . 1.0 110.605 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 p -72.31 -102.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.77 -38.2 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 6.1 p-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 1.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.791 0.329 . . . . 1.0 110.486 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' THR . 98.9 t -91.98 -28.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.65 -7.45 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -77.88 -33.34 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -69.35 -26.79 64.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.457 HG12 ' HE3' ' A' ' 57' ' ' LYS . 89.8 t -68.07 -54.6 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.38 -26.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.545 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -82.08 -44.68 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.563 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.614 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -92.06 39.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.517 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.948 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.682 0.277 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.76 41.02 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.85 -41.41 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.035 179.78 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.88 -12.89 37.82 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.315 2.01 . . . . 1.0 112.011 -179.598 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.31 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.511 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -89.41 -26.98 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -38.83 84.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.5 mmt -79.49 -46.71 16.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.717 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' MET . 88.1 t -97.16 -32.41 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.1 t80 -58.23 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.742 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.97 -45.64 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.476 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.3 mm? -63.58 2.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.592 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 40' ' ' LEU . . . -134.82 7.23 4.5 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 p -140.01 -38.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 1.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 46' ' ' ASN . 24.6 p -102.94 -55.15 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.75 -0.55 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 44' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 1.0 110.602 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 1.0 110.646 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.04 -19.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.16 -23.94 20.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.771 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -62.85 -31.3 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.585 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 t -68.88 -10.64 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 55' ' ' ARG . 24.1 t -84.35 -50.17 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.48 1.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' VAL . 4.8 mmp_? -95.19 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -55.36 -36.82 66.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -88.38 41.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.691 0.282 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -121.73 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.439 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.89 -40.36 7.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.745 179.805 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.75 -39.81 84.37 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.29 1.993 . . . . 1.0 112.093 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.61 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 34' ' ' ILE . 7.6 mt -91.22 -9.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -81.69 -38.98 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.6 mtp -79.52 -34.17 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.58 -16.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 38' ' ' VAL . 57.2 t -102.39 -13.63 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.3 t80 -94.93 -64.5 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.95 -19.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 -47.26 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.35 9.5 61.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.751 -0.939 . . . . 1.0 110.751 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 44' ' ' THR . 22.2 m -142.41 -127.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 1.0 110.659 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 43' ' ' THR . 91.0 m 56.54 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.613 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -143.37 56.37 0.56 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.474 -1.05 . . . . 1.0 110.474 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.798 0.333 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.4 t -43.06 -53.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.4 mp -71.36 -57.37 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -44.19 -30.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.49 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 54' ' ' PHE . 5.4 m -80.03 -44.17 20.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 49' ' ' VAL . 59.0 t -59.8 -2.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -117.16 -7.78 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -90.83 -24.88 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.35 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -86.7 -18.37 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.461 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -87.94 38.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.257 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.888 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.711 0.291 . . . . 1.0 110.568 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.19 58.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.42 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.178 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.77 -39.98 18.61 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.367 2.045 . . . . 1.0 112.092 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.8 -26.8 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -86.41 -43.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.493 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.83 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.491 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -49.65 56.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.455 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 41' ' ' LEU . 45.2 tp -49.44 -25.26 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.46 -19.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' LEU . 17.9 t80 -79.56 -66.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.19 -0.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -85.86 -25.21 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.566 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.94 -25.14 10.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.0 t -140.46 -140.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' THR . 58.7 m 56.93 -79.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.51 18.09 48.78 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.53 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.35 -21.84 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.41 4.44 50.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -90.67 -22.48 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.451 179.872 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 m -95.04 -27.66 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.79 -18.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.537 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 3.0 t80 -101.44 -13.03 18.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -41.86 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -75.54 -38.98 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -86.95 41.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.059 0.457 . . . . 1.0 110.235 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.721 0.296 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.23 73.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.556 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.29 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.11 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.75 -2.14 6.02 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.33 2.02 . . . . 1.0 112.014 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -92.28 -26.15 18.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.445 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 34' ' ' ILE . 72.8 mt -94.59 -7.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.424 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -52.35 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.6 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.464 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.7 -0.32 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.594 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -93.95 6.96 46.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.28 -23.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -71.35 -17.34 62.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.531 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.73 -35.34 4.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.8 mm? -84.54 28.2 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.426 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.32 -33.78 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.15 -102.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 1.0 110.553 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 43' ' ' THR . 72.0 p -44.43 -86.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . 178.37 -68.25 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' GLY . 5.2 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 1.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.754 0.311 . . . . 1.0 110.517 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.1 t -47.26 -26.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.56 -45.34 22.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -42.18 -37.46 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.582 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.611 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -66.37 -55.09 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.02 -18.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 23.52 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.5 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.71 -31.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.85 -29.14 27.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -92.28 41.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.515 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.896 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.721 0.296 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.97 -33.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -82.26 -33.93 0.64 Allowed Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.435 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.5 Cg_exo -57.92 -35.21 98.91 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.974 1.783 . . . . 1.0 111.885 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.54 -27.99 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.528 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 34' ' ' ILE . 63.0 mt -82.48 -10.61 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.462 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 20.2 mtt -63.5 -30.95 71.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.462 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.39 -2.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' VAL . 65.1 t -128.77 10.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.475 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 55.3 t80 -128.13 23.16 6.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -138.77 -12.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.608 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -85.38 -26.13 26.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.034 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.87 -8.01 40.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.671 -0.972 . . . . 1.0 110.671 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 9.0 p -134.82 88.9 2.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 45' ' ' GLY . 3.2 m -177.42 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.15 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 44' ' ' THR . . . -136.29 14.21 4.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 6.3 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.646 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.825 0.345 . . . . 1.0 110.483 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.35 -25.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.4 mt -82.06 -33.87 29.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.256 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -48.05 -25.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.215 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -76.64 -44.42 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -82.56 -63.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.45 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -40.38 -34.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -39.26 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.715 -179.894 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -48.08 -69.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.46 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.577 ' CD ' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.92 69.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 1.0 110.1 179.653 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.826 0.346 . . . . 1.0 110.607 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -136.06 57.03 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 168.99 -41.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.051 179.797 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.1 Cg_exo -65.1 -47.71 4.38 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.436 2.091 . . . . 1.0 112.045 -179.594 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.51 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -82.97 -36.7 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -68.48 -48.95 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.431 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -25.19 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -64.27 -33.85 76.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.48 4.98 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' LEU . 74.8 t80 -93.6 -64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.577 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.24 -1.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt -102.08 0.68 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.65 1.94 3.31 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 t -102.11 -19.42 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -91.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.556 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.55 -65.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 1.0 110.612 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.339 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 49' ' ' VAL . 64.6 t -71.01 -15.67 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.35 -2.46 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.577 179.838 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -84.9 -25.38 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 t -77.48 -17.72 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' NZ ' ' A' ' 57' ' ' LYS . 85.8 t -81.59 -56.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.65 -43.31 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 13.7 ttm180 -64.97 -47.47 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -53.34 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.477 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' NZ ' ' CG1' ' A' ' 53' ' ' VAL . 11.2 mttt -79.69 41.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.525 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 179.954 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.734 0.302 . . . . 1.0 110.493 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.17 -27.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -85.75 -40.32 0.6 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.763 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.9 Cg_exo -59.92 -48.29 12.94 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.287 1.991 . . . . 1.0 111.939 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -54.72 -17.74 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -100.11 -20.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -46.08 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 72.6 mtm -73.41 -21.83 60.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.556 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -73.43 15.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.216 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.1 t -132.78 -26.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.313 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 m-85 -75.48 -68.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.506 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -57.49 -4.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 tp -80.88 -58.22 3.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.686 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.34 -34.37 8.83 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.099 -0.801 . . . . 1.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 44' ' ' THR . 9.0 t -164.58 -136.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 1.0 110.686 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.637 ' N ' HG23 ' A' ' 43' ' ' THR . 1.4 m 63.52 -69.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.717 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.46 31.71 8.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.529 179.916 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 1.0 110.454 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.13 -40.12 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.81 -7.06 57.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.476 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -76.47 -47.52 22.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -52.46 -25.68 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.5 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ARG . 84.7 t -67.37 -87.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.59 -21.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.668 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.9 tpm_? -77.68 -73.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.439 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' GLY . 13.6 pttp -55.77 -22.47 24.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.739 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -71.68 41.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.502 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.859 0.361 . . . . 1.0 110.663 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.31 43.71 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.49 -41.39 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -66.86 -19.04 53.0 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.359 2.04 . . . . 1.0 112.027 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.5 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.4 mp -86.73 -30.85 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.481 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -46.96 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -48.04 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -51.57 -15.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 88.1 t -103.6 -25.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.479 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -75.95 -66.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.618 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.73 -0.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.644 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.23 -45.09 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.593 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.13 45.03 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -101.71 -30.78 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -137.36 -87.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.68 -71.81 0.02 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 1.0 110.563 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.893 0.378 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.78 -24.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -90.95 -13.89 32.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.52 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.507 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.5 t -72.76 -25.74 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.46 -73.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.36 -36.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -57.36 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 58' ' ' GLY . 8.0 mmmt -44.4 -39.6 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.02 42.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.738 0.304 . . . . 1.0 110.594 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.35 -34.68 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.601 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.76 -40.22 0.67 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.1 Cg_exo -59.56 -51.01 6.87 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.272 1.982 . . . . 1.0 112.01 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.25 -30.99 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.703 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -80.24 -31.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.59 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.292 179.742 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -32.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 1.0 109.959 179.439 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -55.97 20.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.384 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.04 13.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.622 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -107.98 -46.0 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.722 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.47 -37.27 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.709 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -79.31 -25.05 42.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.458 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.27 -28.64 55.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.604 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -171.9 -133.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 1.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.604 ' N ' HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER 71.31 -40.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -146.71 23.07 1.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.0 110.595 -179.957 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.6 t -56.87 -15.23 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.78 -23.67 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -70.49 -31.03 67.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.577 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.528 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.6 t -81.38 -30.01 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.9 t -64.12 -65.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.19 -15.92 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.554 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 4.6 ttm180 -86.28 -54.68 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -42.21 -43.43 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.544 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -81.56 41.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.981 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.732 0.301 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.24 35.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.435 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 172.35 -40.85 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.373 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.179 179.579 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.1 Cg_exo -67.01 -31.43 37.23 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.342 2.028 . . . . 1.0 111.952 -179.588 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.41 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.44 -25.49 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.406 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.63 -34.74 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 41' ' ' LEU . 43.6 tp -53.65 -24.45 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 41' ' ' LEU . 58.0 t -103.01 -3.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.551 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' HG21 ' A' ' 43' ' ' THR . 57.4 t80 -87.28 3.9 44.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -121.94 -22.32 5.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 38' ' ' VAL . 4.9 mp -41.25 -34.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.651 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.96 56.64 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 44' ' ' THR . 63.6 p -102.0 -102.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 43' ' ' THR . 59.7 p -41.66 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -136.3 -71.57 0.06 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.532 179.964 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.781 0.324 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.57 -37.28 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.52 -42.97 77.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.9 m -67.21 -44.63 79.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.17 -44.87 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -36.99 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.645 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -73.52 -46.48 47.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -41.47 -62.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.516 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.87 42.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.597 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.713 0.292 . . . . 1.0 110.635 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.34 38.88 2.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.467 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.63 -41.43 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.454 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.985 179.835 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.7 Cg_exo -66.2 -12.27 34.83 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.379 2.053 . . . . 1.0 111.931 -179.738 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.31 -32.51 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 7.0 mt -80.26 -23.56 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.348 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.71 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.415 179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -64.27 -44.86 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.368 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.78 -10.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.425 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.4 t -108.64 -13.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.617 -179.89 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' CD2' ' OG1' ' A' ' 44' ' ' THR . 4.5 t80 -93.53 -35.73 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -94.74 -18.8 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.784 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -53.99 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.618 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.7 50.53 0.22 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -136.23 -55.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.54 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 45' ' ' GLY . 87.1 m -86.49 -111.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 44' ' ' THR . . . -73.39 -64.19 2.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.773 0.32 . . . . 1.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.802 0.334 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG23 ' HA3' ' A' ' 45' ' ' GLY . 41.8 t -60.2 -18.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.508 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.66 -19.85 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.518 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.26 -32.67 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.547 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.45 -39.84 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.513 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.17 -23.76 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.06 4.0 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HE ' ' CA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.17 -52.61 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.586 -179.943 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -66.28 -39.81 89.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.74 55.91 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.953 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.648 0.261 . . . . 1.0 110.52 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -121.91 -24.86 5.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.71 -33.95 0.52 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.617 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -57.35 -23.21 53.65 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.007 1.805 . . . . 1.0 111.999 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -39.27 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 34' ' ' ILE . 13.4 mt -85.44 2.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.66 -32.98 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 17.0 mtt -86.06 -25.31 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.77 13.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 47.4 t -134.33 -13.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -57.26 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -2.74 22.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -96.1 -39.54 9.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.91 179.807 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.15 20.63 49.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 44' ' ' THR . 7.2 t -88.42 -142.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.622 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 43' ' ' THR . 63.7 p 36.57 -87.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.221 179.566 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.01 -45.17 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 4.9 p30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.762 0.315 . . . . 1.0 110.638 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 1.0 110.586 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.35 -21.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 mt -84.68 -43.63 14.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.25 -39.41 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.594 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -70.9 -43.03 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.8 -31.97 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 63.8 t80 -85.85 -5.49 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.26 -45.65 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.947 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 13.1 mmtt -55.0 -60.56 3.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.96 71.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.775 0.321 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.14 72.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.558 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.48 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.121 179.788 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.5 Cg_exo -66.45 -22.6 51.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.419 2.079 . . . . 1.0 112.038 -179.629 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.85 -18.38 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.553 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -92.85 -22.27 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -38.22 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.511 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -83.77 -41.99 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.558 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 41' ' ' LEU . 40.6 tp -45.03 -26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.454 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.79 -27.67 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' A' ' 41' ' ' LEU . 24.5 t80 -74.41 -71.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -52.75 -9.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.525 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -72.32 -30.63 64.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.21 36.04 1.42 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.443 ' HG1' ' HD2' ' A' ' 39' ' ' PHE . 70.3 p -136.5 -75.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 43' ' ' THR . 65.3 p -51.4 -102.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -81.95 -70.39 1.35 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.7 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 1.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.79 0.328 . . . . 1.0 110.501 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.0 t -92.46 -21.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.24 -30.72 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.0 -28.06 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.574 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.516 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -80.87 -27.25 36.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.7 -71.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.59 -30.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -55.14 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -41.01 -59.61 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 53.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.769 0.319 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.59 -28.05 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.324 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.1 -41.4 0.44 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 46.1 Cg_exo -54.04 -30.06 57.85 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.057 1.838 . . . . 1.0 111.603 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.87 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.014 179.509 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 34' ' ' ILE . 75.0 mt -98.02 -10.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' ILE . 18.2 t80 -78.59 -42.84 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.546 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.78 -40.56 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.49 -25.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.49 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.98 -19.85 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' MET . 12.7 t80 -81.24 -59.71 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.99 -7.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.6 mt -84.16 -19.7 33.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.593 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.55 -26.23 16.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' GLY . 29.1 p -105.75 -139.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 45' ' ' GLY . 58.0 p 51.72 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -110.31 -66.56 0.55 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 6.1 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 1.0 110.712 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.813 0.339 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG23 ' HA3' ' A' ' 45' ' ' GLY . 79.2 t -92.91 -36.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -94.01 -19.05 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.481 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.56 -27.21 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.579 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.493 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -75.38 -24.86 57.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.0 t -68.58 -68.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CD2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.85 -2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.842 -179.871 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.38 -62.05 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.14 -179.655 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -41.64 -37.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.744 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -92.02 39.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 1.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 1.0 110.567 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -134.79 61.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.18 -41.24 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.044 179.836 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.4 Cg_exo -65.16 -50.55 2.0 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.403 2.069 . . . . 1.0 111.963 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.5 -21.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -86.23 -40.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.248 179.852 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -67.17 -55.76 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.376 179.8 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -55.55 -19.15 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.417 179.87 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.2 tp -90.52 -31.94 16.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.246 -179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.4 t -95.54 -1.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -82.08 -23.14 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.605 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -108.97 -43.43 4.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.364 179.846 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 41' ' ' LEU . 4.2 mm? -89.27 21.15 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.476 -179.883 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.99 -8.05 3.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -93.15 -98.16 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 1.0 110.657 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.507 ' H ' HG23 ' A' ' 43' ' ' THR . 76.9 p -41.06 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.69 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -162.8 -73.82 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.586 -179.96 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.83 0.348 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' VAL . 69.7 t -53.32 -10.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' LEU . 33.5 mt -94.6 -26.91 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -19.62 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.621 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -91.02 -22.59 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.52 -58.03 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.31 56.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -76.55 -56.42 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -41.58 -37.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -86.43 41.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.957 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.557 0.218 . . . . 1.0 110.683 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.81 -33.39 6.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.532 179.711 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.58 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -66.6 -40.85 35.64 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.751 -179.835 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.1 Cg_exo -58.37 -19.9 45.56 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.172 1.915 . . . . 1.0 111.799 179.857 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.76 -1.88 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.441 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 34' ' ' ILE . 7.0 mt -108.61 -15.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.403 179.471 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -47.57 67.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.801 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 ptp -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.03 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.81 -65.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.396 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.6 t -55.22 -9.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.519 -179.913 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.67 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.661 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' H ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -68.34 -29.33 68.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.606 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.91 18.39 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.569 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.46 -4.74 3.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.684 HG23 ' N ' ' A' ' 44' ' ' THR . 14.5 t -101.93 -139.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.653 0.263 . . . . 1.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.684 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 p 52.08 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.72 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -162.72 52.27 0.31 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 1.0 110.533 -179.98 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.369 . . . . 1.0 110.291 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.9 t -57.44 -26.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.57 ' N ' HD22 ' A' ' 50' ' ' LEU . 3.7 mm? -82.49 -37.75 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.435 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.28 -37.53 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.56 -28.73 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.441 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -98.76 -9.29 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.701 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.3 t80 -101.01 -23.45 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -92.65 -44.98 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.621 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.69 -60.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -72.95 49.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.922 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -98.58 -67.15 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -82.36 -40.33 0.91 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.807 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 28.0 Cg_exo -58.87 -32.24 96.91 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.307 2.004 . . . . 1.0 112.063 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.43 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.6 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.7 -38.38 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -33.41 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.7 mmt -79.97 -49.11 12.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.42 -22.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.774 -179.806 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.4 t -101.64 -30.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.551 179.85 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.8 OUTLIER -81.58 29.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.718 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -168.11 -0.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.792 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -27.07 68.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.253 179.865 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.47 35.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -54.95 2.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 45' ' ' GLY . 84.5 m -75.02 -105.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.567 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.674 ' N ' HG22 ' A' ' 44' ' ' THR . . . -114.8 -81.87 1.01 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 1.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 1.0 110.492 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' HA3' ' A' ' 45' ' ' GLY . 16.3 t -64.41 -50.81 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.3 mp -61.48 -40.86 96.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.351 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.32 -41.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.943 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 12.5 m -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.7 t -72.31 -52.14 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.405 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -42.73 -31.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -76.5 -33.24 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' VAL . 23.5 mmtm -67.15 -9.53 40.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.795 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 53' ' ' VAL . 4.9 mmtt -95.07 40.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.395 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 mmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.46 87.88 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -152.35 103.5 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.58 -47.87 0.9 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.88 171.42 48.21 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.56 122.15 12.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 1.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 41.87 89.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 15.8 t70 -141.35 52.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 76.0 m-20 -138.08 46.16 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 2.1 t80 -55.64 101.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 2.5 p90 -56.91 169.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 153.29 -40.01 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 1.0 110.596 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -92.26 74.69 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.607 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -153.09 -69.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' NE2' ' H ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER 27.81 43.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.817 0.698 . . . . 1.0 111.672 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ASN . 36.3 m -97.4 144.35 27.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -77.77 61.21 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.533 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.47 45.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' THR . 12.8 tt0 -162.75 -35.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' O ' ' CE2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -58.27 -3.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 20' ' ' GLU . 95.1 m -101.37 -38.89 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.533 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' TRP . 37.8 m-20 -107.82 21.83 16.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.599 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.48 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.67 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -67.85 66.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 1.0 110.583 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -137.21 -55.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -155.9 19.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.87 78.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.59 38.31 29.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 1.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -134.32 -26.22 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.453 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.29 -40.23 0.71 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.769 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.7 Cg_exo -58.62 -37.04 96.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.311 2.007 . . . . 1.0 112.01 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.477 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -86.92 -38.84 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -37.65 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -75.08 -46.97 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.802 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.4 tp -50.21 -24.93 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.296 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 38' ' ' VAL . 92.8 t -99.5 -11.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.438 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 43' ' ' THR . 26.0 t80 -89.38 -69.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 41' ' ' LEU . 1.9 pp -48.8 -24.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 37' ' ' LEU . 2.1 mm? -60.16 -30.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.39 6.02 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 11.0 p -101.62 -139.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.8 m 56.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.1 54.43 0.53 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.826 -0.909 . . . . 1.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -146.85 113.76 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 1.0 110.566 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.95 -37.59 3.24 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.24 -16.8 36.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 1.0 110.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 50' ' ' LEU . 25.0 t -75.07 -75.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.75 -14.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -70.43 -51.29 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.533 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.4 t -61.79 -22.99 65.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HD3' ' A' ' 57' ' ' LYS . 86.7 t -68.67 -53.85 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.679 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -79.29 20.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -13.92 8.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 14.0 pttp -102.6 -41.03 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -89.75 37.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.959 0.409 . . . . 1.0 110.282 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.52 -131.64 0.11 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.45 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 43.15 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.546 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.8 23.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -58.24 163.32 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.553 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -56.32 166.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.556 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.36 88.37 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -139.03 52.21 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.33 36.74 0.14 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -81.83 -89.91 0.61 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 5' ' ' GLY . 4.8 t70 44.77 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 1.0 110.563 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -155.99 129.0 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -153.34 48.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.551 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' TYR . 17.6 t-20 49.15 40.02 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.513 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ASN . 21.2 t80 43.38 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -54.1 168.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.7 40.06 2.6 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.42 59.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 1.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.42 75.78 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -140.69 10.11 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -86.77 64.25 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.587 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 121.66 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -141.16 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -140.7 6.67 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.33 -33.08 10.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -98.93 -12.97 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -101.27 -22.66 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.644 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -88.14 -13.33 41.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.613 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 1.6 p-90 -54.96 -36.5 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.501 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 1.4 mtpp -162.3 107.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.23 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m 51.91 40.54 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.0 8.92 52.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.94 94.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 1.0 110.527 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.36 -78.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.527 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -83.23 -33.65 0.58 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.584 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.9 Cg_exo -58.79 -29.36 89.61 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.957 1.771 . . . . 1.0 111.966 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.64 -33.85 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -87.47 -36.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -77.68 -29.19 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.52 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 mm? -72.13 14.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 82.1 t -139.06 -18.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.473 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -84.47 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.48 -16.57 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.584 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 mt -75.35 -15.64 60.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.1 -48.22 2.09 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -149.8 -138.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 1.0 110.639 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.548 ' N ' HG23 ' A' ' 43' ' ' THR . 6.5 m 60.98 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -98.62 28.36 15.36 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -155.03 116.27 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 1.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.74 -22.58 16.74 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.49 -20.29 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 1.0 110.601 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.44 -37.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.699 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.7 -44.78 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.594 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.78 -38.24 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 18.5 m -70.71 -54.58 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -48.21 -21.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.605 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.33 23.78 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.0 mtp180 -130.97 -56.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.558 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -48.15 -52.8 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -77.85 41.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.34 -89.02 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -101.18 -50.15 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.81 136.4 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -98.28 160.76 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -57.89 104.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -45.7 153.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.576 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.8 t60 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.576 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 48.62 50.0 17.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -166.77 103.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.515 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -38.47 0.78 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.76 104.13 0.29 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.07 147.49 26.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 1.0 110.623 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -139.65 128.94 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.534 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -153.6 57.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -141.89 42.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.59 124.24 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -57.49 167.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.55 -60.24 0.03 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.52 66.68 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.57 57.54 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.623 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.28 25.08 2.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.549 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.55 66.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.58 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 m -141.56 -169.39 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.599 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -164.21 24.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 22' ' ' THR . 13.7 tt0 -138.9 -36.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.541 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -61.63 -0.26 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 20' ' ' GLU . 96.2 m -88.96 -19.54 25.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.7 t0 -96.03 22.87 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.18 -102.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.576 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 1.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 27' ' ' SER . 44.7 t 52.5 40.52 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.643 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 75.19 1.91 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.528 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.81 -8.21 70.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.72 12.0 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.738 0.304 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.2 mt -110.79 -28.54 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -72.81 -40.46 6.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.2 Cg_exo -58.31 -25.9 74.72 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.349 2.033 . . . . 1.0 112.021 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.32 -36.49 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 34' ' ' ILE . 21.7 mt -84.88 6.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.28 -30.78 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.4 mtt -90.33 -33.26 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.703 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.3 mm? -56.56 -5.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.603 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 48.8 t -111.97 -14.54 10.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.709 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.7 -74.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -35.42 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.686 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 37' ' ' LEU . 5.5 mp -47.05 -31.47 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.47 67.17 0.1 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 44' ' ' THR . 12.2 t -129.0 -35.59 1.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 1.0 110.554 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' THR . 0.6 OUTLIER -102.05 -87.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -165.06 43.42 0.29 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -39.63 -60.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 1.0 110.943 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.97 -23.27 23.24 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' LEU . 24.0 tp -65.06 -59.13 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 1.0 110.409 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 53' ' ' VAL . 60.9 t -47.53 -20.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 46' ' ' ASN . 11.0 mp -91.1 -38.07 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -60.66 -32.4 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.614 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.8 t -81.59 -32.3 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 49' ' ' VAL . 16.3 t -56.03 -56.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -65.24 -19.21 65.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -81.64 41.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.74 35.35 4.46 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -98.62 -73.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 1.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER 40.96 92.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.739 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -67.92 155.99 38.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -57.63 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -57.4 168.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.564 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mtp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -171.39 96.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -139.91 75.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.7 39.14 2.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.3 175.28 51.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 41.86 92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 1.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.44 158.12 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.61 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -146.91 54.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.549 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -138.76 42.75 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -53.09 95.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.519 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.01 178.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.522 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.38 123.27 0.82 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.78 49.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 1.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.01 71.42 6.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.573 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -149.18 29.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -95.89 64.11 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.42 118.11 29.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.15 175.45 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.86 166.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 54.5 11.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.539 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -98.35 -2.36 39.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.533 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.5 m -98.61 -26.14 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 24' ' ' TRP . 2.0 p-10 -90.46 21.14 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.62 -100.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.618 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -57.53 -72.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 1.0 110.62 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.4 12.4 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.549 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.5 m -166.51 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 32' ' ' PRO . . . -73.57 8.43 10.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.6 6.16 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 1.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -114.13 -25.54 8.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.02 -34.03 0.72 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.491 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.4 Cg_exo -58.53 -25.87 76.14 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.882 1.722 . . . . 1.0 112.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -73.64 -35.15 65.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -85.86 -19.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.73 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.549 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 21.5 mtt -78.95 -35.82 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -55.24 -7.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.306 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 2.8 t -130.37 21.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -126.9 -36.75 2.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.89 -24.63 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -87.04 -25.69 24.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.34 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.6 -24.39 56.29 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -171.57 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 1.0 110.668 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.579 ' N ' HG23 ' A' ' 43' ' ' THR . 3.8 m 62.61 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.61 17.62 49.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -138.84 87.7 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.72 -19.51 0.44 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 51' ' ' TRP . 1.3 mt -138.21 -15.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 1.0 110.54 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -71.91 -25.39 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.07 4.46 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.505 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -89.77 -33.04 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.439 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -75.6 -30.05 59.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.43 -42.68 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -31.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.655 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -60.0 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -48.44 -51.97 24.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -72.89 62.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.84 89.75 0.83 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -97.52 -62.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 1.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 53.7 t-80 41.99 74.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 14.7 p80 -88.43 121.83 31.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -56.4 142.29 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.538 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -164.17 96.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.6 t60 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.546 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.84 42.05 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -147.16 49.06 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.48 -67.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 139.64 175.7 14.4 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.834 0.35 . . . . 1.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -152.24 165.55 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.559 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -154.47 52.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -139.12 49.98 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 1.1 t80 -51.77 109.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -50.78 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.544 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -152.14 99.23 0.19 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 76.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 1.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 12' ' ' GLY . 52.7 p30 -86.63 48.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -149.92 52.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.59 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 4.5 pm0 -72.38 7.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 41.16 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -137.54 152.91 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 m -57.97 -101.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.0 tt0 -99.72 1.44 43.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.584 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CD2' ' C ' ' A' ' 20' ' ' GLU . 43.7 p90 38.39 24.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.002 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.4 m -100.83 -48.42 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.554 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -101.38 29.14 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.588 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.14 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.625 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 86.06 4.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 1.0 110.626 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -154.64 -79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.502 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.53 39.15 24.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.48 -5.41 36.74 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.8 27.27 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.643 0.259 . . . . 1.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mt -116.42 -31.03 5.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -77.96 -40.23 1.95 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.836 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.4 Cg_exo -59.9 -53.18 3.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.33 2.02 . . . . 1.0 112.002 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.97 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.655 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mt -80.4 -28.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 1.0 110.102 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -74.36 -60.14 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.239 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.86 -26.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.113 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -56.04 25.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' LEU . 2.0 t -73.11 -2.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.637 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 40.6 t80 -84.92 -73.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.15 -7.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.3 mt -66.83 -37.11 83.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.77 51.82 0.29 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 44' ' ' THR . 12.1 t -101.39 -46.31 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 1.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.598 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 p -100.77 -56.32 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.95 -45.8 0.31 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.35 112.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.729 0.299 . . . . 1.0 110.572 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.31 -82.49 0.27 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.47 1.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 1.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.94 -54.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -41.59 -45.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.51 -36.67 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 17.6 m -79.84 -52.41 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -51.85 -25.3 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -89.59 -18.43 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.556 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -44.42 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -63.57 -46.51 85.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.593 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -77.92 55.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.73 -126.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -93.83 -66.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.32 . . . . 1.0 110.526 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.53 68.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 27.8 p-80 -72.05 -48.68 42.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.606 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 8.6 t60 -163.93 125.78 2.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 7.6 m170 -162.6 140.96 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.513 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.51 100.26 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.59 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -138.89 49.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.526 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.43 -70.02 0.18 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.1 -84.46 0.17 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.84 -163.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 1.0 110.599 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.1 156.88 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -153.19 57.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -140.21 45.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.573 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.99 98.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.683 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -56.93 165.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.89 45.32 0.34 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -143.42 62.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.68 49.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.75 5.43 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -59.03 -25.35 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.522 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 41.26 93.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.655 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.97 96.4 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 9.9 m -138.67 164.11 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 22' ' ' THR . 2.2 mt-10 67.55 -65.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -65.52 -0.71 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -88.39 -36.26 16.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.657 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -88.17 23.88 2.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.568 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.27 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.66 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.29 73.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 1.0 110.615 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 t -69.16 -56.68 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.541 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.44 15.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.545 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 62.15 3.78 5.42 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.15 101.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.746 0.307 . . . . 1.0 110.606 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.44 -82.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.77 -33.59 0.72 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.619 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.9 Cg_exo -57.91 -13.49 15.2 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.943 1.762 . . . . 1.0 112.01 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.56 -32.16 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.503 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -84.99 -17.97 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -73.23 -34.67 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mmt -80.49 -29.92 37.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.31 14.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 96.6 t -137.38 -18.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -85.57 -66.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -56.84 -13.59 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 -44.56 21.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.95 -35.7 49.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.717 -0.953 . . . . 1.0 110.717 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.674 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -169.58 -135.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.634 0.254 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m 56.77 -74.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.193 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -74.65 22.68 1.36 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.521 -1.031 . . . . 1.0 110.521 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -137.1 118.8 15.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 1.0 109.876 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.94 -74.64 0.44 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.4 mm? -98.18 -43.34 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.501 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG21 ' HA2' ' A' ' 45' ' ' GLY . 48.4 t -51.51 -9.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.498 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' LEU . 24.7 mt -96.9 -41.65 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.537 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -59.11 -11.24 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.642 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -101.43 -18.58 15.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 49' ' ' VAL . 43.0 t -72.7 -18.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.498 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -102.78 0.42 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.589 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mmp_? -106.44 -49.71 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.48 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -50.06 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.491 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.08 41.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.528 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -89.74 86.02 1.4 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -50.87 -28.52 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 1.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -43.41 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -59.13 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 42.06 90.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -46.5 135.02 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.581 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 2' ' ' GLU . 1.2 pt-20 -138.17 91.51 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -146.89 101.52 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.16 -50.17 0.75 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 6' ' ' ASP . . . 85.28 163.21 36.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 5' ' ' GLY . 3.2 m-20 -138.33 59.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 1.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -99.29 100.76 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -138.27 50.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -139.22 42.81 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.4 137.03 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -57.41 174.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.39 119.44 1.68 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.06 46.3 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 1.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -91.0 74.87 6.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.633 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 17' ' ' SER . 3.9 m120 -156.87 -75.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.579 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' NE2' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -59.34 -2.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.576 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -88.83 122.8 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.619 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 55.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t 41.73 -139.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.459 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' THR . 19.3 mm-40 -95.15 3.29 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.392 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD2' ' C ' ' A' ' 20' ' ' GLU . 45.4 p90 38.9 23.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.95 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 20' ' ' GLU . 18.6 m -104.11 -22.5 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -101.14 -4.41 27.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 21' ' ' TYR . 5.1 p-90 -50.07 -34.86 23.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -8.26 9.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.099 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -86.28 23.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 1.0 110.574 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER 79.61 40.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.751 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ALA . . . 44.52 20.39 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' SER . . . 48.6 99.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 1.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.26 -81.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.31 -33.72 0.77 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.551 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.9 Cg_exo -58.35 -35.49 98.64 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.852 1.701 . . . . 1.0 112.037 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.41 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.587 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -86.63 -42.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.463 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.73 -31.87 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.554 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mtt -88.82 -35.61 16.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 41' ' ' LEU . 17.4 tp -55.64 -17.26 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.1 19.48 7.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.271 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 17.3 t80 -124.44 5.97 8.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -138.92 -30.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.786 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 37' ' ' LEU . 1.6 mm? -41.34 -37.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.43 60.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -133.83 -60.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 1.0 110.732 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' OG1' ' A' ' 43' ' ' THR . 0.0 OUTLIER -78.77 -27.0 44.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.543 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.94 -43.5 1.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 5.9 p-10 40.87 91.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 1.0 110.669 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.06 -59.85 0.1 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -154.69 16.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 1.0 110.505 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -84.51 -30.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.515 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 50' ' ' LEU . 5.4 mt -74.74 -5.83 45.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.469 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.458 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -73.43 -45.52 53.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -64.62 -40.33 95.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.524 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.93 -36.4 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 39.9 t80 -78.98 -8.03 58.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -85.42 -63.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.523 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 5.5 pttp -51.58 -40.03 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 9.0 mttm -75.44 69.27 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.11 -122.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -98.93 -75.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 1.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -57.31 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 20.3 m-70 -101.43 160.49 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.609 ' ND1' ' N ' ' A' ' 63' ' ' HIS . 14.0 p80 41.38 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.609 ' N ' ' ND1' ' A' ' 62' ' ' HIS . 8.1 t-160 -44.56 100.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.2 p80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.582 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -62.36 73.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 1' ' ' MET . 22.2 tt0 -95.48 67.82 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.524 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.5 -40.41 1.16 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 42.3 -111.72 0.36 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 43.56 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -85.83 135.78 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.572 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -154.96 47.36 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 11' ' ' TYR . 7.1 t-20 -142.26 43.62 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -58.57 80.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.54 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -58.03 165.22 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.75 -127.55 1.73 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -167.74 41.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 1.0 110.513 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.2 OUTLIER 42.38 40.8 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.623 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.625 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 55.9 m-20 -147.54 -82.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.625 ' NE2' ' H ' ' A' ' 15' ' ' ASN . 3.4 pm0 27.46 47.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.861 0.725 . . . . 1.0 111.681 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -41.86 151.93 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.43 156.31 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 21' ' ' TYR . 7.3 m -158.21 149.49 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.509 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' A' ' 22' ' ' THR . 4.4 tt0 75.99 -24.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 19' ' ' CYS . 4.1 t80 -76.47 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -154.94 20.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.612 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.31 21.46 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.55 -95.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.724 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.61 35.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.806 0.336 . . . . 1.0 110.695 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -80.92 4.06 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.578 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -136.56 -70.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.19 26.5 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.73 37.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.712 0.292 . . . . 1.0 110.469 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.48 -27.98 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.37 -33.5 0.53 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.679 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.2 Cg_exo -57.28 -30.18 86.62 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.977 1.785 . . . . 1.0 111.956 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.627 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -66.12 -37.12 84.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 34' ' ' ILE . 8.4 mt -84.87 -5.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.512 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.446 ' C ' ' H ' ' A' ' 37' ' ' LEU . 5.0 t80 -88.05 -56.77 3.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.553 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.602 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -72.08 10.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.457 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -104.67 6.66 34.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.893 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -136.55 -21.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -73.49 -39.39 64.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.57 -49.77 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.35 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.28 -50.99 20.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.42 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.55 -6.91 67.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.7 HG22 ' N ' ' A' ' 44' ' ' THR . 31.7 m -138.68 -122.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.7 ' N ' HG22 ' A' ' 43' ' ' THR . 11.6 m 60.09 -75.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.639 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.62 57.18 0.49 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -153.2 120.55 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 1.0 110.343 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.66 -16.24 1.92 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 46' ' ' ASN . 40.6 tp -98.57 -42.64 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 1.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' HA2' ' A' ' 45' ' ' GLY . 40.5 t -52.17 -30.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.39 -44.97 23.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.94 -35.93 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.553 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.565 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.9 m -67.78 -48.99 64.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.586 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.34 -34.54 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 51.9 t80 -78.7 -8.67 58.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.57 -51.24 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.657 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -41.54 -51.62 3.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -77.36 42.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.609 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.57 77.72 1.89 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -74.63 -51.4 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.48 126.48 27.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -77.03 111.64 12.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -53.63 88.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 25.1 t-80 -55.71 160.07 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 68.2 t60 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.623 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.66 49.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -139.5 72.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.529 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.52 33.48 4.16 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 -142.25 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.24 96.65 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -154.49 43.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.595 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.72 52.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p-10 44.0 35.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.1 0.476 . . . . 1.0 110.513 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -54.24 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.71 156.41 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.533 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.89 -62.57 0.05 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 72.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 1.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -137.01 52.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.591 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLN . 5.8 m-20 -135.99 -83.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ASN . 1.4 pt20 21.88 49.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.028 0.83 . . . . 1.0 112.081 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 3.0 m -84.8 80.04 9.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 17' ' ' SER . 11.5 tt0 43.07 94.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.524 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.7 62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -172.98 -32.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -65.76 3.46 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.562 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 20' ' ' GLU . 4.7 m -88.41 -39.72 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.502 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -78.39 1.45 21.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.478 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -58.77 -147.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.633 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.04 41.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.453 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -66.78 -60.25 2.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.508 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.67 -17.81 5.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.21 -24.59 2.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.45 75.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 1.0 110.537 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.15 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -85.09 -34.16 0.51 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.605 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.8 Cg_exo -57.26 -16.69 23.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.861 1.707 . . . . 1.0 111.959 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.48 -30.0 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -82.16 -17.52 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.73 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mtt -64.32 -36.77 85.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.75 ' O ' HD22 ' A' ' 41' ' ' LEU . 2.3 mm? -67.36 6.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.7 t -134.24 -3.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.462 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.69 -58.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.567 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.7 OUTLIER -65.85 -32.36 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.614 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 37' ' ' LEU . 6.2 mp -51.3 -46.25 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.18 11.88 55.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 44' ' ' THR . 2.6 m -138.36 -140.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.315 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.688 ' H ' HG22 ' A' ' 43' ' ' THR . 84.2 m 56.45 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.616 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -149.47 40.1 0.89 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 6.2 p-10 -60.49 75.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 1.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -170.36 -33.77 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -140.94 -2.84 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 1.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.4 t -85.82 -8.39 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -96.3 0.73 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.567 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.556 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.0 -21.83 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.449 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.421 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -86.47 -20.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.488 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.24 -42.58 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -80.84 -10.84 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.615 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -95.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.53 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.512 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.87 40.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.29 -108.33 2.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -57.43 -29.09 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 1.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -49.64 101.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -75.68 168.0 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.617 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -57.41 108.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.85 116.06 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.02 -0.991 . . . . 1.0 110.599 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mtm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 43.39 59.05 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -154.09 97.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.555 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.84 -56.41 0.62 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.41 106.62 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.57 153.36 39.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.807 0.337 . . . . 1.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -67.56 146.87 53.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -141.9 53.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -114.04 38.67 2.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.37 118.9 8.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.07 161.05 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.582 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 166.37 109.71 0.22 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.72 68.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -57.52 82.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.613 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' ALA . 27.7 t-20 -151.26 -68.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.594 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -76.51 12.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.527 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -86.16 67.58 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.569 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -99.32 105.93 17.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.08 176.59 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 54.64 15.84 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -92.84 -3.15 55.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.0 m -98.3 -42.24 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' TRP . 34.0 m-20 -108.95 26.63 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.552 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.54 -102.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.629 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 74.32 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 1.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.34 -3.46 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.598 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.18 1.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -101.82 24.87 29.95 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -148.83 16.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 1.0 110.643 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.9 -55.49 29.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -95.81 -41.48 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.972 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -56.34 -10.29 4.59 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 112.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -79.28 -32.85 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.599 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mt -92.49 -19.04 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.8 -37.17 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 mtt -81.77 -41.04 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -51.27 -32.87 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -85.1 -21.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 43' ' ' THR . 69.0 t80 -77.58 -62.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.82 0.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.2 mt -86.17 -18.62 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.07 12.83 4.42 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.671 HG21 ' CE1' ' A' ' 39' ' ' PHE . 43.6 p -136.34 -140.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 1.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.495 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 1.1 p 52.05 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -129.03 -54.01 0.11 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.3 p30 41.11 29.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 1.0 110.511 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . -144.93 77.33 0.27 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp 56.67 4.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 1.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 51' ' ' TRP . 2.1 t -81.31 -58.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 50' ' ' LEU . 2.1 pp -59.08 -1.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.5 -34.14 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.715 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -76.05 -26.99 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.571 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 77.6 t -71.35 -74.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.22 -22.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -80.31 -66.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.38 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.42 -49.84 12.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -80.98 48.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.414 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.08 -29.23 0.19 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 60' ' ' HIS . 4.0 m80 -68.9 -50.4 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.743 0.306 . . . . 1.0 110.489 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 59' ' ' HIS . 31.3 t60 50.84 103.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -128.65 151.33 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.418 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.37 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -76.12 -173.12 2.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.6 t60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.587 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.01 60.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -139.19 80.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.605 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.42 -54.41 0.43 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.45 167.96 0.17 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.98 126.45 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 1.0 110.547 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -57.27 142.92 41.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.619 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.31 48.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -139.01 45.87 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.92 171.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -57.79 166.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.68 8.03 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 60.22 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 1.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -138.26 43.05 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.548 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 17' ' ' SER . 45.2 m-80 -154.7 42.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -75.24 24.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 15' ' ' ASN . 25.1 t -138.62 -173.97 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.548 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -71.95 64.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -137.76 -174.05 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.664 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 22' ' ' THR . 1.1 tt0 60.33 3.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 19' ' ' CYS . 2.2 p90 -71.65 13.21 0.28 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.525 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' GLU . 35.0 m -100.27 -31.88 11.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.642 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -90.74 24.6 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.548 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -44.12 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.734 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.8 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 1.0 110.553 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.75 -60.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 29' ' ' ALA . 4.1 m -176.51 -32.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 30' ' ' LEU . . . -49.8 -10.2 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -74.09 22.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.106 -0.238 . . . . 1.0 110.714 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 28' ' ' GLY . 13.1 mt -108.48 54.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.87 -41.47 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.087 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.8 Cg_exo -67.53 -40.22 10.82 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.366 2.044 . . . . 1.0 112.076 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.648 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.78 -15.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.609 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -100.44 -26.11 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -46.53 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.587 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtt -71.52 -34.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 mm? -59.6 -20.56 56.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.46 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.9 t -103.95 -17.47 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -78.59 -67.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.89 -36.12 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -52.43 -36.06 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.459 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.74 1.41 58.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 44' ' ' THR . 2.7 m -135.31 -142.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 1.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.738 ' H ' HG22 ' A' ' 43' ' ' THR . 0.3 OUTLIER 68.05 -10.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.733 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 135.5 33.83 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -136.66 85.76 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.326 . . . . 1.0 110.573 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.63 -22.62 0.15 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -138.6 -18.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 1.0 110.496 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -81.86 -23.92 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.77 5.74 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.605 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -92.66 -30.77 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.473 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -83.08 -29.3 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.28 -44.64 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.43 -19.63 62.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.593 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -58.26 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -50.58 -51.83 44.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.578 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.1 mptp? -71.89 58.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.87 35.35 0.88 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.511 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 22.3 m-70 -100.72 -52.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 1.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 59' ' ' HIS . 33.1 p-80 41.36 26.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.629 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -61.01 -1.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.569 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 60' ' ' HIS . 2.7 t-80 43.68 -156.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.62 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -49.66 144.28 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.94 -1.029 . . . . 1.0 110.591 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 56.33 51.45 11.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.566 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -80.82 42.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.22 -50.53 0.63 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.82 -139.96 10.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -139.62 92.34 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 1.0 110.627 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.53 119.41 31.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -156.67 48.42 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.3 46.5 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -49.91 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -57.79 173.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.6 76.77 1.18 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.16 50.69 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.626 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -137.92 41.7 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -152.46 16.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -72.89 58.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.5 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.5 t -89.75 -169.83 2.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.593 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -45.63 92.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.511 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.1 t -154.74 16.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.6 -21.23 14.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.53 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 19.1 t80 -96.25 -12.99 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 22' ' ' THR . 99.1 m -102.35 -14.2 17.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -7.26 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.4 p-90 -42.96 -50.13 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.555 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.1 mtpt -147.3 108.63 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -148.09 -76.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.65 33.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.602 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 101.47 -14.01 58.08 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 74.96 3.39 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 1.0 110.609 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.9 mt -86.96 -44.54 11.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -92.26 -40.76 0.36 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.878 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -58.36 -30.45 91.24 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.268 1.979 . . . . 1.0 112.095 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.63 77.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.651 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -85.25 -37.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -39.13 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.42 -42.76 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 mp -56.07 -5.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.7 t -118.14 -5.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.553 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 8.2 t80 -104.57 -6.59 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -132.41 -12.97 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -47.88 -47.03 32.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.08 31.51 0.35 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.5 p -124.17 -144.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.362 -0.236 . . . . 1.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.4 p 37.84 -89.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -139.82 -45.29 0.07 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.729 -0.949 . . . . 1.0 110.729 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.9 p30 41.25 47.76 3.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.836 0.35 . . . . 1.0 110.413 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -168.34 76.54 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 51' ' ' TRP . 0.5 OUTLIER 55.55 4.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.664 0.269 . . . . 1.0 110.771 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 47' ' ' GLY . 2.7 t -81.84 -16.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 1.0 110.408 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.2 -31.6 16.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.538 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.07 -11.63 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.711 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.3 t -90.34 -26.56 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 55' ' ' ARG . 51.3 t -73.34 -76.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -39.65 -23.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.771 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.8 tpt180 -79.82 -61.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.517 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -48.8 -53.17 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 1.4 mtmp? -77.17 40.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.68 74.33 2.53 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -100.04 -70.82 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 1.0 110.52 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.7 t60 42.49 85.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 11.9 m-70 -78.18 96.18 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -58.19 94.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -57.94 149.05 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.583 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.536 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 41.75 84.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -138.28 92.2 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.49 -31.07 1.82 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.91 104.04 0.65 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -140.8 135.29 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 1.0 110.52 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.8 -171.59 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 38.2 t0 -139.04 49.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.514 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 9' ' ' ASN . 2.7 p-10 43.65 36.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.1 t80 43.01 91.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -153.48 153.49 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.61 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.58 64.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -138.09 64.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 1.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -100.47 43.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -100.1 -34.57 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.615 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 4.9 pm0 -50.61 -37.05 38.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.561 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 t 41.81 52.82 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 -174.53 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.594 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 62.51 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.564 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 65.15 -1.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.568 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 14.7 t80 -100.52 -23.91 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.564 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' THR . 98.4 m -99.56 0.1 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.44 25.13 2.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.622 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.2 -101.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.635 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -50.14 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 1.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 t 54.84 8.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.616 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER 164.14 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.613 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -16.31 33.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.28 -2.94 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.72 71.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.57 -41.32 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.067 179.787 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.76 -22.92 49.03 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.88 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.64 -26.88 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -37.63 82.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 8.6 mtt -75.93 -32.98 59.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.09 11.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.2 t -137.89 -5.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 67.7 t80 -99.13 -64.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.64 -16.66 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.25 -58.22 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 37.56 1.8 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 44' ' ' THR . 2.9 t -60.01 -37.62 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 1.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 43' ' ' THR . 73.2 p -95.44 -71.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -156.39 -66.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' GLY . 4.9 m-80 41.91 93.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 1.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.26 14.16 52.02 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -141.5 -40.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 1.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 45' ' ' GLY . 47.5 t -55.23 -24.74 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -84.44 -35.88 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -49.16 -29.0 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.576 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 m -74.63 -53.41 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.29 -54.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -50.29 -16.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.57 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 3.7 mtp180 -101.34 -40.7 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.85 41.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.93 32.31 5.44 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -83.41 -70.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.788 0.327 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 42.43 52.99 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -67.68 -77.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 42.99 78.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -57.92 123.71 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -94.49 83.43 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.88 69.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.64 -34.4 0.89 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 96.84 0.25 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.3 150.78 24.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 1.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -86.4 167.18 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.24 43.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -148.35 46.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.42 140.77 49.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -53.23 113.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.614 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.53 88.9 0.66 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.54 46.6 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 1.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.85 48.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLN . 32.7 m-80 -135.17 -85.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ASN . 8.6 pt20 27.61 48.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.853 0.72 . . . . 1.0 111.781 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 114.72 26.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.618 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.21 113.68 27.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.593 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 m -84.48 43.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 22' ' ' THR . 12.9 tt0 -152.02 -37.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.54 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -69.49 9.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -142.04 19.02 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.506 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.35 6.23 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -53.31 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.595 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.68 57.92 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 1.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.89 -78.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.639 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.7 m 52.64 37.09 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 10.54 60.01 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.92 94.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.48 -80.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.83 -33.61 0.66 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.2 Cg_exo -58.05 -28.04 81.87 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.895 1.73 . . . . 1.0 112.046 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -24.48 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -87.6 -27.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -63.27 -51.63 65.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.8 mtt -61.46 -42.85 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.671 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.4 mm? -56.87 -4.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.1 t -132.7 7.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.467 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -112.22 1.82 16.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.17 -18.84 2.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.675 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 37' ' ' LEU . 7.0 mp -56.07 -57.55 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.594 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.93 46.39 0.8 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 t -81.72 -30.12 32.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.335 . . . . 1.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -90.81 -83.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.46 18.34 0.37 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -72.64 69.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 1.0 110.511 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.66 -56.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.883 . . . . 1.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -92.42 -26.11 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 1.0 110.461 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.92 -22.42 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.507 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.3 mt -89.17 -25.38 21.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.22 -11.99 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.222 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.3 m -89.14 -53.49 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.404 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.9 t -44.33 -61.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.594 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -61.96 3.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.248 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -112.34 -59.4 2.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.32 . . . . 1.0 110.95 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -43.63 -41.96 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.829 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -90.06 39.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.383 . . . . 1.0 110.32 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.57 -87.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.63 -71.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 1.0 110.595 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 41.84 92.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.89 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -163.72 144.28 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -164.09 142.35 7.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.605 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.52 86.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.67 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.05 58.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.83 -64.86 0.23 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.35 157.78 25.96 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -155.15 70.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 1.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.34 137.51 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.616 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.51 44.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -140.54 42.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.5 148.51 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.599 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -48.98 114.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.595 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 68.16 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.11 50.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 1.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -81.39 41.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' C ' ' H ' ' A' ' 17' ' ' SER . 22.6 p30 -96.14 -18.82 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.607 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 6.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 15' ' ' ASN . 12.9 t -56.71 107.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.533 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -158.18 108.91 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.0 p -173.39 158.87 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.558 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.16 4.44 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.484 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 12.2 t80 -95.09 -17.86 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.599 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -98.82 -23.19 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.57 -7.4 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' O ' ' CG ' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -59.99 114.83 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 1.9 pttt 21.08 49.11 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.391 -0.822 . . . . 1.0 112.312 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -88.54 -18.37 28.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.2 m 163.45 -22.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 136.9 -2.21 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.22 34.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.642 0.258 . . . . 1.0 110.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.51 -27.95 3.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -82.33 -33.85 0.64 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.493 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.8 Cg_exo -58.36 -23.96 65.84 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.931 1.754 . . . . 1.0 111.919 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.504 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.684 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -88.0 -27.54 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.479 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -63.79 -30.62 71.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.3 mtt -78.61 -37.06 43.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.08 -28.91 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.2 3.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -104.2 0.4 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 1.9 pp -142.13 -20.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.659 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.81 -32.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.88 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -98.53 -45.78 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 1.0 110.616 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 43' ' ' THR . 4.5 p -99.61 -96.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.55 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -104.02 -79.44 1.33 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER 48.85 99.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.615 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.32 -20.39 41.02 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 tp -100.59 -42.67 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 1.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.518 HG23 ' HA3' ' A' ' 45' ' ' GLY . 72.5 t -53.7 -23.64 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.95 -34.02 33.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -54.64 -33.22 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.614 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.59 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m -72.28 -38.51 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.594 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.89 -45.31 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -29.6 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.597 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -47.33 -52.47 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -75.12 57.48 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.69 -136.92 7.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.12 -82.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 61' ' ' HIS . 16.7 m-70 -137.24 13.25 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.732 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 60' ' ' HIS . 1.6 t-80 47.66 99.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.743 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -157.7 85.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.611 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 176.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -138.42 102.35 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -136.04 49.85 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.65 37.98 0.14 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.82 63.55 4.06 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 9.8 t0 44.76 95.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 1.0 110.634 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 64.0 t80 -74.1 50.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t70 49.49 40.83 19.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -133.86 48.86 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CZ ' ' OD2' ' A' ' 6' ' ' ASP . 11.3 m-85 -51.16 131.35 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -58.11 176.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.51 87.97 0.51 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.1 73.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -99.94 45.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -138.76 6.81 2.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.529 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' CD ' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -48.68 -15.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.57 163.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.583 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 19' ' ' CYS . 11.8 tt0 41.79 64.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.561 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 18' ' ' GLU . 13.4 m -48.34 -99.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.4 mm-40 -136.17 22.74 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 43.0 p90 39.21 23.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.4 m -98.79 0.06 43.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.551 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.01 28.9 2.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.534 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.33 -101.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.633 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -89.82 57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 p -101.01 -10.38 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -51.32 -17.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.579 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.84 -5.13 2.77 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.97 63.36 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 1.0 110.544 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.68 57.92 1.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.3 -41.4 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.077 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.6 Cg_exo -65.62 -34.49 41.47 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.338 2.026 . . . . 1.0 112.073 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.764 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -67.16 -7.03 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.12 -17.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.07 -46.39 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -76.7 -36.25 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.459 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 33' ' ' ALA . 3.5 mp -49.73 -17.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.543 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' MET . 65.7 t -100.66 -21.52 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -84.48 -53.58 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.52 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.39 -8.69 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -42.15 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.69 -53.4 5.44 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -148.55 -136.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 1.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.575 ' N ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER 71.46 -40.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -158.36 52.61 0.39 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -154.47 117.74 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.02 -26.14 14.22 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.29 -24.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 1.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.0 t -82.43 -57.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -4.25 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.488 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -78.65 -34.5 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.568 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -67.68 -22.75 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.57 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.76 -33.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -79.02 -10.75 59.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.574 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -92.35 -53.77 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.629 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -48.55 -54.57 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.92 53.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.46 -83.99 1.77 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 22.0 m80 -92.63 -50.76 5.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.714 0.293 . . . . 1.0 110.521 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 50.3 p-80 39.55 94.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.864 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -71.32 -169.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -45.94 123.57 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -57.6 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 m170 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.581 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.67 68.84 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -166.51 98.71 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.31 31.68 4.88 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.45 144.5 36.92 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -138.62 134.68 34.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.569 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.97 179.01 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -148.65 50.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.632 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -140.39 43.89 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.7 -45.97 84.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.25 172.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.33 -80.36 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.18 55.9 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.89 71.14 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -158.78 19.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.635 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -64.71 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.593 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' GLN . 7.5 t 43.47 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 21' ' ' TYR . 5.4 tt0 -91.92 122.95 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -169.48 116.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 8.9 tt0 75.41 9.79 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.61 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -80.01 8.64 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.607 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.8 m -94.14 -44.77 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 24' ' ' TRP . 50.0 m-20 -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.45 -100.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.674 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -54.72 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 1.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 p 48.33 24.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t 59.8 37.96 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.531 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.66 10.05 82.1 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.59 58.96 3.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 1.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.5 -29.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -81.68 -40.29 1.0 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.786 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.4 Cg_exo -58.37 -32.97 97.34 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.265 1.976 . . . . 1.0 111.977 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.91 -26.31 64.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.1 -33.14 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.528 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -45.56 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.3 ptp -64.45 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.479 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -42.74 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.46 32.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.616 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.675 ' O ' HG22 ' A' ' 43' ' ' THR . 62.9 t80 -124.72 -44.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.503 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.65 -28.92 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -89.58 -5.83 56.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.548 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.812 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -103.81 -23.18 8.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 44' ' ' THR . 3.0 t -97.04 -114.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 1.0 110.65 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.683 ' H ' HG23 ' A' ' 43' ' ' THR . 17.4 p -41.5 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.631 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.84 -21.4 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.919 . . . . 1.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 5.8 p-10 41.19 60.97 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 1.0 110.622 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.61 -59.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -144.93 3.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 1.0 110.491 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.92 -31.54 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 52' ' ' THR . 7.9 mt -71.12 -38.23 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -46.22 -20.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.573 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 50' ' ' LEU . 23.2 m -86.78 -60.35 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.3 t -50.23 -45.89 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.593 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -34.98 71.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -80.17 -39.74 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.587 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -45.09 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' ARG . 5.2 mmtt -93.21 40.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.05 -57.71 2.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.06 -82.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 61' ' ' HIS . 55.0 t60 -137.33 168.51 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.544 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 0.1 OUTLIER -74.21 115.0 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 19.4 p80 -43.69 -44.22 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.574 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.459 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -45.26 166.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.572 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HD1' ' C ' ' A' ' 64' ' ' HIS . 2.1 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 24.6 mp0 -138.02 82.19 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.76 42.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.65 -47.8 0.57 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.03 102.8 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -143.61 87.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -143.15 46.79 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 49.05 39.99 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -138.49 44.49 2.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -58.03 94.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.582 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -53.75 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.565 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.576 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . 149.77 109.77 0.5 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -71.03 72.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.309 . . . . 1.0 110.566 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 2.4 t70 -50.83 87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.691 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' ALA . 85.9 m-20 -152.14 -36.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.689 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 69.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -101.7 41.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.534 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.3 97.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 142.28 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.596 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 65.74 8.0 4.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.81 -20.82 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -94.07 -30.33 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p30 -97.87 29.28 3.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.623 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.51 -112.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 24.6 ttpt -59.38 -126.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m 59.6 33.53 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 1.0 110.476 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.01 29.73 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.555 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.85 8.71 75.74 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.61 54.96 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.72 0.295 . . . . 1.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.64 -27.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -83.27 -40.33 0.8 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.722 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.2 Cg_exo -57.65 -34.08 97.6 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.252 1.968 . . . . 1.0 111.996 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.64 68.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.03 -23.16 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.394 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -34.34 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.488 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.3 -41.42 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.552 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 41' ' ' LEU . 44.1 mt -57.55 -3.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.625 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.7 t -120.91 -2.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.342 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -111.75 10.11 20.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.804 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.55 -33.34 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 37' ' ' LEU . 4.2 mp -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.17 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 44' ' ' THR . 1.3 t -102.99 -13.0 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 1.0 110.513 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 43' ' ' THR . 1.3 p -137.09 -41.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.498 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 160.9 -59.28 0.3 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER 50.47 101.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 1.0 110.582 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.73 -59.04 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -140.56 -10.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 49' ' ' VAL . 56.8 t -71.26 -12.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.86 -30.03 15.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -66.54 -8.28 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.625 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.5 t -97.69 -25.46 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.61 -48.89 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.602 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -14.9 63.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -81.86 -69.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -83.49 55.07 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.444 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.75 66.45 1.95 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -71.48 -60.56 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 1.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 54.0 t-80 41.79 41.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.7 124.57 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.549 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -51.99 -38.5 56.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -42.85 157.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.5 m80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.527 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 44.43 71.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.7 -158.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.536 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.16 13.18 37.2 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.427 -1.069 . . . . 1.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . 39.58 -151.36 0.08 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.072 -0.811 . . . . 1.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 5' ' ' GLY . 22.6 t0 47.68 99.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 45.7 -158.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.623 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 59.21 54.87 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' TYR . 50.0 t30 56.97 51.29 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -40.86 -26.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.643 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 m-85 -41.95 128.03 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.34 52.71 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 47.51 44.79 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 1.0 110.665 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.29 71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.509 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' ALA . 18.7 m120 -129.0 -7.3 4.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.57 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -77.74 21.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 15' ' ' ASN . 2.6 t -53.88 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.596 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 42.3 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 t -171.67 45.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.25 -36.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 68.8 t80 -72.27 59.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 m -168.46 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -17.62 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -59.85 144.06 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.591 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.33 56.06 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.1 p -159.18 27.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 29' ' ' ALA . 1.2 m 64.64 -0.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -63.55 2.31 1.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -135.04 62.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 1.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.72 -56.25 4.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.586 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.54 -40.39 0.43 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.774 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.4 Cg_exo -58.55 -14.56 21.56 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.257 1.971 . . . . 1.0 112.048 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.76 -32.86 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.33 -28.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.501 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.41 83.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.6 mtt -72.61 -27.4 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.604 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -72.46 14.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 45.6 t -136.54 -13.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.47 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.57 -35.48 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.02 -36.41 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -102.54 6.0 52.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 44' ' ' THR . 3.0 m -137.94 -140.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 1.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER 62.14 -0.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.67 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 142.46 -6.7 2.21 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 6.1 m120 -107.81 78.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' HD11 ' A' ' 50' ' ' LEU . . . 170.16 -32.92 0.16 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.65 -18.98 10.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.717 0.294 . . . . 1.0 110.723 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 95.4 t -70.55 -25.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.55 0.29 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.454 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.559 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -87.94 -33.48 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.149 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -69.75 -13.0 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.407 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 -43.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -78.19 -13.37 59.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CH2' ' A' ' 51' ' ' TRP . 15.3 tpp85 -89.92 -61.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -47.44 -27.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 59' ' ' HIS . 79.5 mttt -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.488 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.14 -79.9 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -136.02 -82.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.518 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.9 t-80 -141.16 -147.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.613 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 12.0 m-70 -99.29 -76.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -51.36 -49.64 61.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -51.65 96.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.433 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.509 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 7.7 ptt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 37.3 mm-40 54.25 106.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -94.97 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.74 36.03 3.35 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.61 137.95 33.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.81 113.64 4.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 1.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' HE2' ' HH ' ' A' ' 10' ' ' TYR . 58.4 t80 41.98 63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -153.21 54.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' TYR . 97.5 m-20 -137.88 45.19 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' ASN . 64.6 m-85 -50.89 -176.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.534 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -54.32 155.15 3.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.19 -128.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -147.15 54.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 1.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -51.56 90.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 17' ' ' SER . 3.3 m120 -161.7 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.668 ' NE2' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -60.3 -1.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.668 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -43.14 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.506 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' SER . 19.7 tt0 44.27 95.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.497 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.7 OUTLIER -165.16 168.62 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 22' ' ' THR . 3.6 tt0 65.02 -1.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 19' ' ' CYS . 5.7 p90 -57.6 -6.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.2 m -93.42 -38.69 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.5 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 4.1 t70 -101.77 28.26 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.55 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.18 -101.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.605 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.65 87.41 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.0 -73.26 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.611 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -15.3 27.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.08 15.74 20.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.21 84.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.604 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.07 42.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.41 -41.34 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.126 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.8 Cg_exo -66.46 -24.44 49.39 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.355 2.036 . . . . 1.0 112.079 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -24.31 61.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 62.9 mt -99.92 -4.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.76 -32.35 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.489 ' C ' ' H ' ' A' ' 38' ' ' VAL . 3.0 mmt -93.5 -21.79 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.72 14.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.232 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.489 ' H ' ' C ' ' A' ' 36' ' ' MET . 58.3 t -129.69 -24.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.0 m-85 -81.93 -68.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.9 pp -49.09 -12.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.5 mm? -66.0 -38.47 88.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.655 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.12 31.12 0.97 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.151 -0.779 . . . . 1.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.2 t -179.22 134.93 0.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.836 0.35 . . . . 1.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 81.15 3.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.806 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 40' ' ' LEU . . . 158.79 78.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -142.9 15.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 1.0 110.615 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.21 -61.4 0.37 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.26 -3.49 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 1.0 110.364 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 HG21 ' H ' ' A' ' 44' ' ' THR . 9.2 t -90.38 -61.16 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.6 3.93 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.536 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.441 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -90.79 -29.63 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.524 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -78.35 -24.04 46.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.84 -42.2 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.69 -21.56 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.665 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -72.51 -56.8 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -31.91 47.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -88.67 45.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.79 32.34 6.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -64.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 1.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -55.54 149.64 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -42.61 139.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 m80 -56.33 -26.96 54.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.561 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 2.2 m-70 -57.94 79.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 50.21 75.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.47 -160.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.99 28.78 8.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.625 -0.99 . . . . 1.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.93 144.13 15.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -151.21 173.34 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.553 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.93 114.27 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -154.82 59.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 11' ' ' TYR . 20.1 t-20 -152.19 42.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.547 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -7.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.601 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 9' ' ' ASN . 46.0 m-85 -51.64 120.91 5.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.592 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.98 52.54 0.15 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.56 56.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 1.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.76 63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -151.41 36.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.4 66.31 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -100.4 101.61 12.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.506 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -140.01 141.02 36.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 p -99.5 22.98 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 22' ' ' THR . 2.3 tt0 -138.05 -41.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -50.37 -12.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.548 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.501 ' OG1' ' CE1' ' A' ' 21' ' ' TYR . 20.0 m -101.87 -31.0 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.578 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 1.6 t70 -99.76 22.52 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.33 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.72 82.58 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 1.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.95 -79.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t 54.11 33.13 17.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.58 3.82 79.41 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.0 46.63 26.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.307 . . . . 1.0 110.614 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -135.98 52.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.468 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.2 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.058 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.5 Cg_exo -65.79 -41.11 15.05 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.34 2.026 . . . . 1.0 111.963 -179.656 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.25 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.589 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.08 -33.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -42.62 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -72.37 -35.91 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.51 -29.5 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.98 35.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -132.44 -38.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.1 pp -68.38 -19.91 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.37 -40.15 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.31 92.49 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 44' ' ' THR . 8.8 t -137.36 -140.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 1.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.541 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 m 69.47 -64.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.51 56.96 0.47 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 5.0 p30 -89.08 -127.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 1.0 110.628 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -39.85 -28.35 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -58.82 -56.99 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.38 -20.32 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.427 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.12 -17.68 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.584 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -69.95 -31.89 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.584 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -74.7 -28.06 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.547 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.83 -54.13 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -62.15 -9.21 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.584 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -83.75 -64.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -57.4 -36.97 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 59' ' ' HIS . 15.1 mtpp -88.49 41.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.91 81.79 1.13 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 57' ' ' LYS . 12.4 m-70 -69.8 -41.66 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 1.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -55.58 -36.38 66.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.559 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -55.51 113.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 64' ' ' HIS . 1.4 m80 -54.15 158.79 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.62 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.599 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 45.8 50.03 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -95.14 42.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.534 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.62 39.33 2.39 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.28 177.22 53.7 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.45 146.24 48.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 1.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 90.2 m-85 -81.28 56.49 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.661 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.9 p-10 43.94 36.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.476 . . . . 1.0 110.454 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' TYR . 76.8 m-20 -148.71 51.87 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.99 40.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.1 p90 -57.39 140.92 48.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.9 30.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.29 76.79 9.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.21 44.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.588 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -154.56 53.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 2.1 pm0 -90.78 60.24 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.585 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 11.9 t -57.04 177.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.491 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 17' ' ' SER . 2.7 tt0 -86.03 52.78 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.582 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 49.7 26.97 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.59 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 54.86 6.85 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 12.6 t80 -75.3 -10.4 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OE1' ' A' ' 18' ' ' GLU . 92.9 m -85.92 -33.72 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 25' ' ' LYS . 9.3 t0 -74.02 -19.34 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.529 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.14 -15.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 62.4 mttm -148.13 -101.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.507 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t 46.68 21.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.552 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 29' ' ' ALA . 2.2 m -160.73 29.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.89 0.05 3.73 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . . . 56.34 109.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 1.0 110.566 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -83.69 -81.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -81.37 -33.63 0.68 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.627 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.0 Cg_exo -58.51 -17.4 34.22 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.881 1.721 . . . . 1.0 112.019 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.55 77.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -84.74 -18.25 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.68 -35.55 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.4 mtt -84.43 -34.9 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.75 -3.61 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 38' ' ' VAL . 81.1 t -113.25 -8.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.611 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -22.84 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.738 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 -0.86 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.747 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -94.61 -8.71 37.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.429 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.841 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -101.58 -34.69 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.7 t -104.26 -140.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 1.0 110.429 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' N ' ' A' ' 45' ' ' GLY . 31.0 m 39.56 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.792 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 44' ' ' THR . . . -153.79 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER 41.34 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 1.0 110.642 179.894 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.596 ' H ' HD11 ' A' ' 50' ' ' LEU . . . 139.32 -54.04 0.68 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.83 -10.59 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 1.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.474 ' C ' ' N ' ' A' ' 51' ' ' TRP . 42.3 t -81.45 -64.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -48.74 -13.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -70.95 -38.69 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.552 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.605 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -68.94 -25.42 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.7 t -73.94 -58.28 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.89 -10.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -91.59 -59.2 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.535 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -54.79 -51.29 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.4 mptt -77.09 49.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.4 -93.61 1.99 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.76 -78.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 1.0 110.568 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.06 167.04 22.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.658 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 125.76 38.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.496 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -57.95 100.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.608 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -163.81 84.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 63' ' ' HIS . 12.6 m80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.05 119.43 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.29 105.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.627 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -31.99 1.45 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.71 -121.97 21.1 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 7' ' ' PHE . 9.2 t0 -152.71 159.71 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.722 0.296 . . . . 1.0 110.612 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 83.3 m-85 -143.83 70.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.588 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.11 58.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' TYR . 63.7 t30 -144.47 46.45 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -57.94 79.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' ASN . 15.0 p90 -57.93 129.58 42.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.96 -121.03 3.25 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 52.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 1.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.55 43.32 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -140.43 13.71 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.559 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -58.63 -3.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 15' ' ' ASN . 5.6 t -94.24 91.12 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 2.2 mt-10 -153.79 171.5 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.589 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER 171.0 -25.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.606 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 22' ' ' THR . 14.4 pt-20 -174.52 -32.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.632 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.38 -10.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.647 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 20' ' ' GLU . 98.2 m -99.53 -35.96 9.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.19 31.57 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.571 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.24 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.662 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 30.75 4.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.944 0.402 . . . . 1.0 110.479 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.84 -61.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.507 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 52.63 38.11 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.338 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.69 3.49 89.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.62 -0.992 . . . . 1.0 110.62 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 40.96 62.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 1.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.33 44.24 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.512 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.578 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 170.71 -41.22 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.098 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.9 Cg_exo -67.56 -24.45 42.0 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.327 2.018 . . . . 1.0 112.038 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -37.05 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.78 7.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -50.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mmt -76.57 -36.47 57.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.11 -22.75 6.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.74 3.97 8.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.93 4.81 25.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -148.67 -16.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.52 31.33 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 -55.22 2.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.822 0.344 . . . . 1.0 110.605 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 p -72.31 -102.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.77 -38.2 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 6.1 p-10 41.23 65.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 1.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.42 -42.71 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -145.05 7.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 1.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' THR . 98.9 t -91.98 -28.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.65 -7.45 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -77.88 -33.34 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -69.35 -26.79 64.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG12 ' HE3' ' A' ' 57' ' ' LYS . 89.8 t -68.07 -54.6 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.38 -26.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.545 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -82.08 -44.68 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.563 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.614 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -92.06 39.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.517 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.87 90.0 0.85 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -56.56 -15.38 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -44.37 102.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.474 ' ND1' ' O ' ' A' ' 62' ' ' HIS . 8.6 p80 -88.5 168.27 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.554 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 22.4 p-80 -57.95 140.08 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.617 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.48 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.022 -0.989 . . . . 1.0 110.532 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -93.54 44.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -138.8 82.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -31.01 0.59 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -53.46 -54.52 29.59 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 48.55 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 1.0 110.658 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 2.4 m-85 -138.41 96.51 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.5 56.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -137.98 42.4 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.661 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -45.99 142.82 2.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -55.9 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -31.21 9.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.4 62.3 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -61.25 77.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 17' ' ' SER . 19.7 m120 -136.22 -33.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.642 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.2 68.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 15' ' ' ASN . 1.7 t -100.48 97.74 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.621 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -140.34 97.12 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.545 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' TYR . 4.2 p -99.12 -175.46 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 62.39 -0.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 19' ' ' CYS . 14.9 t80 -137.23 -34.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.7 m -85.2 -25.84 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.567 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.8 t70 -91.73 25.03 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.613 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.16 -102.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.627 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 27' ' ' SER . 2.7 mptp? -51.38 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.742 0.306 . . . . 1.0 110.6 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t 55.41 8.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -101.46 -79.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.571 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.37 28.84 0.07 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 50.5 98.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.682 0.277 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.76 41.02 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.85 -41.41 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.035 179.78 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.88 -12.89 37.82 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.315 2.01 . . . . 1.0 112.011 -179.598 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.31 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.511 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -89.41 -26.98 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -38.83 84.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.5 mmt -79.49 -46.71 16.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.717 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' MET . 88.1 t -97.16 -32.41 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.1 t80 -58.23 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.742 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.97 -45.64 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.476 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.3 mm? -63.58 2.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.592 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 40' ' ' LEU . . . -134.82 7.23 4.5 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 p -140.01 -38.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 1.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 46' ' ' ASN . 24.6 p -102.94 -55.15 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.75 -0.55 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -104.05 -8.0 19.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 1.0 110.602 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.02 -43.99 1.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -74.97 -62.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 1.0 110.646 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.04 -19.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.16 -23.94 20.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.771 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -62.85 -31.3 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.585 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 t -68.88 -10.64 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 55' ' ' ARG . 24.1 t -84.35 -50.17 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.48 1.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' VAL . 4.8 mmp_? -95.19 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -55.36 -36.82 66.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -88.38 41.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.44 74.82 1.87 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -40.99 65.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 120.41 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 6.4 p80 -76.6 62.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -57.23 140.26 50.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.51 139.37 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.96 -1.019 . . . . 1.0 110.533 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -138.45 102.76 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.88 42.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.543 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.73 -52.82 0.57 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 57.47 173.17 0.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.07 -175.86 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 1.0 110.631 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -142.22 107.23 4.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -153.91 48.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.589 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -149.18 49.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -41.82 -67.16 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' HE1' HD22 ' A' ' 15' ' ' ASN . 1.9 p90 -54.94 165.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.589 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -94.78 -120.74 3.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.49 69.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.718 0.295 . . . . 1.0 110.555 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' GLY . 25.3 t0 -137.48 47.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.485 HD22 ' HE1' ' A' ' 11' ' ' TYR . 33.5 m120 -139.22 -83.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.518 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 5.7 pm0 27.28 47.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.879 0.737 . . . . 1.0 111.705 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.5 p -41.1 106.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.623 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.48 94.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.75 44.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.55 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' THR . 37.2 mt-10 -142.86 -37.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.556 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' O ' ' CE2' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -55.42 -10.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.502 -179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' GLU . 2.4 m -101.18 -15.17 17.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' TRP . 1.7 m-20 -129.56 20.27 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.401 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.35 -101.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.688 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -73.95 72.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -162.1 -52.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.565 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 p -179.13 29.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.85 22.09 19.58 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.57 12.06 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.691 0.282 . . . . 1.0 110.654 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -121.73 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.439 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.89 -40.36 7.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.745 179.805 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.75 -39.81 84.37 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.29 1.993 . . . . 1.0 112.093 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.61 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' ILE . 7.6 mt -91.22 -9.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -81.69 -38.98 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.6 mtp -79.52 -34.17 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.58 -16.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 38' ' ' VAL . 57.2 t -102.39 -13.63 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.3 t80 -94.93 -64.5 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.95 -19.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 -47.26 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.35 9.5 61.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.751 -0.939 . . . . 1.0 110.751 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 44' ' ' THR . 22.2 m -142.41 -127.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 1.0 110.659 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 43' ' ' THR . 91.0 m 56.54 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.613 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -143.37 56.37 0.56 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.474 -1.05 . . . . 1.0 110.474 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.36 118.63 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 -179.697 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.8 -55.6 1.73 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.8 -48.94 69.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 1.0 110.57 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.4 t -43.06 -53.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.4 mp -71.36 -57.37 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -44.19 -30.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.49 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 54' ' ' PHE . 5.4 m -80.03 -44.17 20.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 49' ' ' VAL . 59.0 t -59.8 -2.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -117.16 -7.78 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -90.83 -24.88 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.35 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -86.7 -18.37 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.461 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -87.94 38.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.257 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -103.04 85.6 0.51 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -67.28 -19.58 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 1.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.0 96.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.13 140.69 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -163.53 136.98 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.46 146.33 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.552 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' OXT' ' ND1' ' A' ' 64' ' ' HIS . 1.5 t-80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.85 111.24 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -166.58 98.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.02 31.91 4.57 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.09 50.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -100.99 -174.63 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 1.0 110.562 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.42 159.8 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -141.2 43.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' TYR . 2.6 t30 49.18 39.98 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -45.47 94.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.482 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' ASN . 33.6 p90 -57.45 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -59.14 0.22 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.32 73.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 1.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -137.26 56.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLN . 55.3 m-20 -145.08 -81.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' ASN . 5.4 pm0 27.46 47.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.812 0.695 . . . . 1.0 111.734 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 t -146.68 125.25 12.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.533 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -137.13 123.38 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.13 109.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' THR . 25.2 tt0 70.85 6.71 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -60.96 -1.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.583 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 20' ' ' GLU . 21.8 m -93.33 -38.13 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 24' ' ' TRP . 26.4 t70 -99.41 28.95 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.64 -103.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 81.74 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 1.0 110.502 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.23 -50.48 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.628 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 p -156.33 17.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.68 11.85 8.7 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.06 15.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.19 58.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.42 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.178 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.77 -39.98 18.61 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.367 2.045 . . . . 1.0 112.092 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.8 -26.8 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -86.41 -43.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.493 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.83 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.491 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -49.65 56.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.455 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 41' ' ' LEU . 45.2 tp -49.44 -25.26 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.46 -19.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' LEU . 17.9 t80 -79.56 -66.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.19 -0.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -85.86 -25.21 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.566 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.94 -25.14 10.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.0 t -140.46 -140.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' THR . 58.7 m 56.93 -79.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.51 18.09 48.78 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.53 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -132.22 103.47 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.68 -20.37 2.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp -139.33 -18.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 1.0 110.589 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.35 -21.84 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.41 4.44 50.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -90.67 -22.48 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.451 179.872 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 m -95.04 -27.66 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.79 -18.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.537 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 3.0 t80 -101.44 -13.03 18.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -41.86 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -75.54 -38.98 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -86.95 41.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.059 0.457 . . . . 1.0 110.235 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.82 34.95 3.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -99.52 -33.57 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.34 88.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' HIS . 58.1 m-70 -146.3 121.88 10.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.534 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.06 130.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -57.25 129.01 39.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.542 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.13 82.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.68 41.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.66 42.68 1.95 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.43 -57.57 6.43 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 44.33 59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 1.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CD2' ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER 41.73 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.609 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -108.0 36.41 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.531 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 20.7 t30 49.48 41.38 20.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 4.9 m-85 -162.75 14.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.635 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -59.01 156.04 12.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.548 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.38 -129.72 2.72 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.986 -0.845 . . . . 1.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -173.14 54.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.568 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -61.03 76.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' ALA . 20.3 m120 -153.35 34.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.6 pt20 -99.58 64.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.27 132.76 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -100.04 95.31 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 p -101.65 52.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -174.49 -122.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.469 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 45.5 t80 39.98 23.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.753 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' GLU . 63.1 m -166.32 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.662 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.4 m-20 -113.16 21.29 15.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.481 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -42.35 -92.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.685 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -5.6 53.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.9 44.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.553 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -162.37 23.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.527 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . -99.17 -16.5 29.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.73 -2.2 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 1.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.23 73.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.556 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.29 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.11 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.75 -2.14 6.02 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.33 2.02 . . . . 1.0 112.014 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -92.28 -26.15 18.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.445 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 34' ' ' ILE . 72.8 mt -94.59 -7.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.424 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -52.35 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.6 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.464 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.7 -0.32 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.594 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -93.95 6.96 46.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.28 -23.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -71.35 -17.34 62.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.531 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.73 -35.34 4.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.8 mm? -84.54 28.2 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.426 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.32 -33.78 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.15 -102.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 1.0 110.553 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 43' ' ' THR . 72.0 p -44.43 -86.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . 178.37 -68.25 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' GLY . 5.2 m-80 52.49 103.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 1.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.72 -39.0 2.88 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -46.49 8.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.1 t -47.26 -26.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.56 -45.34 22.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -42.18 -37.46 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.582 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.611 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -66.37 -55.09 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.02 -18.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 23.52 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.5 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.71 -31.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.85 -29.14 27.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -92.28 41.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.515 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.99 -34.65 29.77 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -142.43 -62.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 1.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 42.53 40.41 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -97.62 -75.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -56.99 170.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -164.22 123.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.578 -179.901 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.82 127.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.614 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.38 53.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.44 -58.18 0.61 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 41.89 82.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -154.99 64.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 1.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -139.24 72.17 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -146.46 48.6 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -145.43 46.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.594 -179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 5.1 m-85 -163.2 11.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.625 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.68 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.44 -122.51 2.48 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 43.54 64.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 1.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 42.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -100.24 6.75 44.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -71.92 64.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.533 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -53.08 118.93 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.644 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.61 125.53 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 p -87.0 172.32 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 67.74 6.1 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -98.4 6.13 47.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.569 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -88.21 -32.97 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.631 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -72.41 -14.35 61.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.591 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -58.29 -153.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.54 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 40.7 mtmt -57.61 79.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.7 t -104.4 33.21 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER 79.43 29.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.45 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.16 34.72 5.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 41.56 68.89 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.97 -33.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -82.26 -33.93 0.64 Allowed Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.435 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.5 Cg_exo -57.92 -35.21 98.91 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.974 1.783 . . . . 1.0 111.885 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.54 -27.99 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.528 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 34' ' ' ILE . 63.0 mt -82.48 -10.61 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.462 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 20.2 mtt -63.5 -30.95 71.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.462 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.39 -2.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' VAL . 65.1 t -128.77 10.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.475 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 55.3 t80 -128.13 23.16 6.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -138.77 -12.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.608 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -85.38 -26.13 26.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.034 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.87 -8.01 40.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.671 -0.972 . . . . 1.0 110.671 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 9.0 p -134.82 88.9 2.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 45' ' ' GLY . 3.2 m -177.42 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.15 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -136.29 14.21 4.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 6.3 p-10 -63.22 70.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -155.21 -38.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.861 -0.895 . . . . 1.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -138.62 -16.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.35 -25.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.4 mt -82.06 -33.87 29.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.256 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -48.05 -25.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.215 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -76.64 -44.42 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -82.56 -63.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.45 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -40.38 -34.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -39.26 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.715 -179.894 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -48.08 -69.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.46 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.577 ' CD ' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.92 69.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 1.0 110.1 179.653 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -94.42 33.84 5.06 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -101.53 -21.22 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 1.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.62 158.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.605 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.04 163.42 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.532 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 1.4 m-70 -57.89 -171.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -164.26 125.51 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.596 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.8 p80 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.548 179.953 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -149.6 94.53 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -170.97 101.66 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.0 30.8 4.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.07 111.19 3.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 143.42 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 1.0 110.617 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -103.7 -161.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 52.16 41.15 29.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 42.6 t30 -139.36 42.64 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 4.9 m-85 -163.32 147.08 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.556 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.9 -177.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.647 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.6 132.15 2.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -96.41 62.02 2.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.0 110.532 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -100.67 43.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -96.61 -34.61 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 1.8 pt20 -51.33 -23.24 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLU . 26.0 t 41.79 42.29 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.553 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.1 tp10 41.69 -165.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER 70.47 148.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.569 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 69.22 2.89 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -135.98 -35.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.633 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -89.8 -24.77 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.555 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' TRP . 50.7 t0 -90.05 3.6 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.431 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -59.35 -145.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.791 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.01 80.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.469 . . . . 1.0 110.626 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -139.53 17.49 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.555 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.27 31.48 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.658 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.19 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.39 44.34 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 1.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -136.06 57.03 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 168.99 -41.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.051 179.797 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.1 Cg_exo -65.1 -47.71 4.38 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.436 2.091 . . . . 1.0 112.045 -179.594 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.51 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -82.97 -36.7 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -68.48 -48.95 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.431 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -25.19 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -64.27 -33.85 76.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.48 4.98 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' LEU . 74.8 t80 -93.6 -64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.577 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.24 -1.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt -102.08 0.68 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.65 1.94 3.31 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 t -102.11 -19.42 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -91.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.556 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.55 -65.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.31 103.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 1.0 110.612 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.02 -40.11 1.09 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -147.85 -17.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 1.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 49' ' ' VAL . 64.6 t -71.01 -15.67 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.35 -2.46 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.577 179.838 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -84.9 -25.38 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 t -77.48 -17.72 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' NZ ' ' A' ' 57' ' ' LYS . 85.8 t -81.59 -56.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.65 -43.31 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 13.7 ttm180 -64.97 -47.47 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -53.34 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.477 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' NZ ' ' CG1' ' A' ' 53' ' ' VAL . 11.2 mttt -79.69 41.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.525 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.53 -31.11 73.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -55.68 16.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 1.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 t60 43.26 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.585 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 44.03 39.88 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -47.2 156.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -54.56 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.38 111.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.558 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 59.34 96.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.13 -36.39 1.5 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.98 150.81 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -152.04 171.63 17.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 51.9 t80 42.68 89.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -139.33 47.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' TYR . 20.0 t30 48.91 39.62 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -3.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.484 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -58.16 179.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . -168.29 -127.61 0.93 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.96 62.88 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 1.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.98 67.85 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -152.0 40.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -84.76 57.55 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.66 125.46 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -134.74 -172.44 3.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.3 tt0 -106.57 9.14 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' O ' ' CZ2' ' A' ' 24' ' ' TRP . 41.1 p90 37.54 26.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.8 m -128.73 -33.49 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.562 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 25' ' ' LYS . 7.3 p-10 -107.22 22.96 15.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.798 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.86 -0.92 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.766 179.791 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 23' ' ' ASP . 1.1 pttt -173.06 39.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 1.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.24 -79.41 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.599 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m 53.53 37.92 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.49 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.8 4.86 67.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.6 56.99 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 1.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.17 -27.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -85.75 -40.32 0.6 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.763 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.9 Cg_exo -59.92 -48.29 12.94 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.287 1.991 . . . . 1.0 111.939 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -54.72 -17.74 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -100.11 -20.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -46.08 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 72.6 mtm -73.41 -21.83 60.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.556 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -73.43 15.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.216 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.1 t -132.78 -26.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.313 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 m-85 -75.48 -68.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.506 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -57.49 -4.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 tp -80.88 -58.22 3.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.686 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.34 -34.37 8.83 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.099 -0.801 . . . . 1.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 44' ' ' THR . 9.0 t -164.58 -136.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 1.0 110.686 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.637 ' N ' HG23 ' A' ' 43' ' ' THR . 1.4 m 63.52 -69.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.717 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.46 31.71 8.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -151.21 116.39 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -24.55 10.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -101.73 -16.6 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 1.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.13 -40.12 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.81 -7.06 57.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.476 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -76.47 -47.52 22.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -52.46 -25.68 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.5 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ARG . 84.7 t -67.37 -87.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.59 -21.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.668 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.9 tpm_? -77.68 -73.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.439 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' GLY . 13.6 pttp -55.77 -22.47 24.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.739 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -71.68 41.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.502 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -153.55 61.36 0.38 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' HIS . 4.4 m170 -99.0 -64.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 1.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.573 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 8.1 t60 43.83 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 30.1 m80 -142.39 167.13 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.569 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.75 171.41 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -56.74 169.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.552 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 50.4 t60 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.014 -0.994 . . . . 1.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -158.29 93.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 6.3 mp0 -93.14 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 -60.74 0.45 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . 51.87 -157.54 3.28 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 44.71 -170.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' N ' ' OD2' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -55.21 178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.581 179.921 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.87 50.8 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.3 t30 49.07 39.99 16.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -45.62 -87.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -53.9 -170.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.21 101.33 0.67 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.79 52.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 1.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -99.63 51.78 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -150.15 45.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -72.69 57.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.615 179.935 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -88.81 -167.66 1.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.564 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 42.73 63.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 p -128.67 46.56 2.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' THR . 35.4 mt-10 -155.41 -110.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.007 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.6 p90 38.4 23.88 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 120.976 0.417 . . . . 1.0 110.878 179.693 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.3 m -145.26 -36.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.572 -179.721 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 7.2 t0 -105.65 18.02 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.39 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.636 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 18.8 21.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.839 0.352 . . . . 1.0 110.604 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -85.26 -15.3 43.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.499 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.7 m 54.44 35.99 24.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.444 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.39 0.32 86.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.779 -0.929 . . . . 1.0 110.779 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.23 61.45 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 1.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.31 43.71 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.49 -41.39 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -66.86 -19.04 53.0 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.359 2.04 . . . . 1.0 112.027 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.5 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.4 mp -86.73 -30.85 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.481 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -46.96 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -48.04 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -51.57 -15.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 88.1 t -103.6 -25.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.479 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -75.95 -66.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.618 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.73 -0.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.644 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.23 -45.09 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.593 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.13 45.03 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -101.71 -30.78 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -137.36 -87.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.68 -71.81 0.02 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 m120 43.67 41.79 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 1.0 110.563 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.09 -49.58 0.06 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp -134.12 0.13 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.893 0.378 . . . . 1.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.78 -24.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.9 mm? -90.95 -13.89 32.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.52 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.507 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.5 t -72.76 -25.74 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.46 -73.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.36 -36.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -57.36 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 58' ' ' GLY . 8.0 mmmt -44.4 -39.6 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.02 42.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -59.98 -109.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -141.72 -80.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 1.0 110.57 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.58 156.34 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.618 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 2.7 p80 -46.66 141.73 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 5.0 p-80 -48.34 133.43 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -55.85 168.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.561 179.981 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tpt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 1.9 mt-10 68.84 132.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.213 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 11.9 tt0 79.54 113.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.579 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 -32.98 1.41 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.84 98.59 1.58 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.38 113.57 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -93.06 153.75 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -153.99 53.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -138.69 42.43 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -42.23 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 11.2 p90 -44.35 148.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.03 132.75 3.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.37 50.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 1.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.38 69.42 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' SER . 97.9 m-20 -132.2 -86.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.43 25.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.945 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 15' ' ' ASN . 5.5 t -138.92 138.9 37.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.572 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.91 60.69 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 21' ' ' TYR . 1.6 p -147.99 138.0 22.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 54.59 8.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.557 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.472 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -71.93 -4.31 27.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.503 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 m -99.7 -32.9 10.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -89.95 22.09 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.571 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.78 -100.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.632 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 62.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 1.0 110.557 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 27' ' ' SER . 23.6 t -137.81 33.91 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.522 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.67 9.73 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.636 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.48 -31.5 9.37 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.19 74.47 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 1.0 110.594 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.35 -34.68 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.601 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.76 -40.22 0.67 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.1 Cg_exo -59.56 -51.01 6.87 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.272 1.982 . . . . 1.0 112.01 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.25 -30.99 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.703 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -80.24 -31.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.59 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.292 179.742 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -32.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 1.0 109.959 179.439 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -55.97 20.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.384 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.04 13.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.622 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -107.98 -46.0 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.722 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.47 -37.27 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.709 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -79.31 -25.05 42.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.458 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.27 -28.64 55.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.604 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -171.9 -133.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 1.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.604 ' N ' HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER 71.31 -40.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -146.71 23.07 1.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -141.0 88.31 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.58 -47.86 0.41 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.64 -33.49 10.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 1.0 110.491 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.6 t -56.87 -15.23 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.78 -23.67 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -70.49 -31.03 67.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.577 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.528 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.6 t -81.38 -30.01 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.9 t -64.12 -65.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.19 -15.92 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.554 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 4.6 ttm180 -86.28 -54.68 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -42.21 -43.43 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.544 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -81.56 41.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.23 31.32 8.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -90.02 -53.01 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 1.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 44.22 -157.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.618 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 160.65 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -49.79 160.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -55.24 136.22 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.557 -179.975 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -135.5 -150.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 54.31 72.35 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.43 -30.72 0.2 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.1 111.77 3.44 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.14 107.29 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.324 . . . . 1.0 110.518 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -155.64 104.84 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -154.56 42.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -144.85 43.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -56.69 -57.11 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 31.6 p90 -57.58 179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.68 107.35 0.27 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 49.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 1.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -101.35 42.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.87 53.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.68 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.33 13.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 m -73.16 86.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.33 58.96 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.01 11.66 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.602 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.48 -39.19 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.5 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -74.39 -7.1 51.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -101.94 -24.25 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 58.0 t0 -97.37 27.74 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.75 -102.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.616 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.98 51.66 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 1.0 110.569 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -103.12 -76.94 0.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 m -171.97 26.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.579 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.98 22.18 72.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 43.51 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 110.534 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.24 35.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.435 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 172.35 -40.85 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.373 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.179 179.579 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.1 Cg_exo -67.01 -31.43 37.23 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.342 2.028 . . . . 1.0 111.952 -179.588 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.41 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.44 -25.49 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.406 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.63 -34.74 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 41' ' ' LEU . 43.6 tp -53.65 -24.45 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 41' ' ' LEU . 58.0 t -103.01 -3.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.551 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' HG21 ' A' ' 43' ' ' THR . 57.4 t80 -87.28 3.9 44.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -121.94 -22.32 5.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 38' ' ' VAL . 4.9 mp -41.25 -34.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.651 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.96 56.64 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 44' ' ' THR . 63.6 p -102.0 -102.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 43' ' ' THR . 59.7 p -41.66 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -136.3 -71.57 0.06 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 42.07 89.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.81 -62.83 0.19 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -138.12 -1.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 1.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.57 -37.28 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.52 -42.97 77.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.9 m -67.21 -44.63 79.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.17 -44.87 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -36.99 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.645 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -73.52 -46.48 47.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -41.47 -62.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.516 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.87 42.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.597 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -52.0 -41.11 51.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.11 -52.65 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 1.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' O ' ' NE2' ' A' ' 63' ' ' HIS . 5.3 t-80 43.93 25.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -2.1 42.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.17 -53.7 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.569 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 2.1 p80 -57.59 176.73 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.575 ' ND1' ' CE1' ' A' ' 63' ' ' HIS . 5.4 m170 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.618 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.44 77.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -100.25 58.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.607 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.21 -49.63 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.63 -130.86 10.36 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.81 147.09 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 1.0 110.534 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -96.39 117.36 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -147.09 43.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.609 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -153.4 58.05 0.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.27 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.05 135.91 57.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.39 82.26 0.14 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.3 53.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 1.0 110.581 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -90.44 61.94 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLN . 4.5 m-20 -134.71 -85.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ASN . 8.7 pt20 27.67 47.74 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.786 179.554 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.31 146.69 35.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.558 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.62 90.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' C ' ' H ' ' A' ' 21' ' ' TYR . 13.6 p -164.79 -165.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.85 7.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.55 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 19' ' ' CYS . 3.0 p90 -81.51 2.93 26.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.512 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -100.81 -37.66 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TRP . 2.7 p30 -99.39 23.13 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.91 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.654 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -76.83 -95.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 110.667 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.529 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER 47.24 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.94 27.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 81.54 -5.97 66.75 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 64.78 109.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 1.0 110.635 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.34 38.88 2.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.467 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.63 -41.43 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.454 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.985 179.835 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.7 Cg_exo -66.2 -12.27 34.83 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.379 2.053 . . . . 1.0 111.931 -179.738 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.31 -32.51 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 7.0 mt -80.26 -23.56 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.348 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.71 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.415 179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -64.27 -44.86 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.368 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.78 -10.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.425 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.4 t -108.64 -13.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.617 -179.89 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' CD2' ' OG1' ' A' ' 44' ' ' THR . 4.5 t80 -93.53 -35.73 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -94.74 -18.8 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.784 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -53.99 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.618 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.7 50.53 0.22 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -136.23 -55.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.54 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 45' ' ' GLY . 87.1 m -86.49 -111.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 44' ' ' THR . . . -73.39 -64.19 2.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 58.39 117.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.773 0.32 . . . . 1.0 110.599 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.61 -24.72 2.18 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -100.42 -42.15 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 1.0 110.546 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG23 ' HA3' ' A' ' 45' ' ' GLY . 41.8 t -60.2 -18.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.508 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.66 -19.85 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.518 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.26 -32.67 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.547 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.45 -39.84 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.513 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.17 -23.76 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.06 4.0 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.17 -52.61 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.586 -179.943 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -66.28 -39.81 89.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.74 55.91 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.62 77.03 0.94 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -148.18 -80.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 1.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -53.69 164.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.595 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' HIS . 58.9 m-70 -100.96 83.82 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.583 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -57.16 84.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -49.32 173.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 1.0 110.543 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.433 -0.581 . . . . 1.0 109.433 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.86 89.49 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.601 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.45 76.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.44 -47.32 0.6 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.26 164.21 13.12 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -147.45 127.39 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 1.0 110.554 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -41.91 157.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.59 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -140.61 52.49 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' A' ' 11' ' ' TYR . 5.9 t-20 -141.9 44.23 1.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -71.04 40.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.661 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.0 m-85 -57.6 129.63 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.62 77.67 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.62 56.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 1.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -138.76 46.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.573 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -140.05 15.17 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' C ' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -75.85 67.15 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -73.22 41.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 16' ' ' GLN . 13.9 tt0 -159.76 144.05 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 56.5 m -156.35 74.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 54.77 12.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.548 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -96.95 -8.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.549 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -96.5 -28.42 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -80.58 -19.33 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.481 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ3' ' CE ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.41 150.71 11.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.702 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' CE ' ' CZ3' ' A' ' 24' ' ' TRP . 44.9 mtmt 40.76 47.67 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m 168.32 76.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.458 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -156.54 -79.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.5 30.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -143.38 26.48 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.044 -0.263 . . . . 1.0 110.52 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -121.91 -24.86 5.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.71 -33.95 0.52 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.617 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -57.35 -23.21 53.65 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.007 1.805 . . . . 1.0 111.999 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -39.27 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' ILE . 13.4 mt -85.44 2.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.66 -32.98 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 17.0 mtt -86.06 -25.31 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.77 13.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 47.4 t -134.33 -13.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -57.26 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -2.74 22.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -96.1 -39.54 9.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.91 179.807 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.15 20.63 49.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 44' ' ' THR . 7.2 t -88.42 -142.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.622 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 43' ' ' THR . 63.7 p 36.57 -87.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.221 179.566 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.01 -45.17 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 4.9 p30 40.84 82.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.762 0.315 . . . . 1.0 110.638 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.88 -25.55 0.19 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -150.73 -29.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 1.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.35 -21.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 mt -84.68 -43.63 14.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.25 -39.41 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.594 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -70.9 -43.03 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.8 -31.97 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 63.8 t80 -85.85 -5.49 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.26 -45.65 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.947 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 13.1 mmtt -55.0 -60.56 3.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.96 71.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -97.21 -136.75 9.23 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -135.87 -83.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 1.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -164.05 178.58 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.671 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 3.0 p80 -89.96 150.12 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.58 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.634 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 7.6 t-80 -57.6 -164.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.634 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 14.9 t-80 41.59 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.621 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -135.49 -150.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 1.0 110.448 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 52.67 70.44 0.57 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.531 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 -33.92 0.26 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.15 -171.8 35.85 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' PHE . 1.2 p-10 -88.99 127.47 35.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 1.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' ASP . 0.8 OUTLIER 43.48 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -158.05 41.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.6 t-20 49.06 40.3 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.527 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' ASN . 5.5 t80 44.81 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.584 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -153.07 163.36 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.57 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.9 -37.13 1.91 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.43 66.08 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 1.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.65 42.23 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -156.08 32.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -53.02 -25.4 12.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 m -57.98 93.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.38 140.87 27.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.613 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' C ' ' H ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -171.6 143.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.52 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.93 -39.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.73 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 19' ' ' CYS . 3.8 t80 -59.35 -22.14 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.606 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.86 4.59 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' TRP . 27.3 t0 -139.95 20.83 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.604 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.98 -102.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.755 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.42 -117.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 110.561 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 78.39 21.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.517 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.91 -4.78 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.597 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.53 74.31 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.35 -1.64 27.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 1.0 110.496 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.14 72.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.558 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.48 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.121 179.788 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.5 Cg_exo -66.45 -22.6 51.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.419 2.079 . . . . 1.0 112.038 -179.629 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.85 -18.38 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.553 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -92.85 -22.27 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -38.22 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.511 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -83.77 -41.99 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.558 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 41' ' ' LEU . 40.6 tp -45.03 -26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.454 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.79 -27.67 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' A' ' 41' ' ' LEU . 24.5 t80 -74.41 -71.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -52.75 -9.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.525 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -72.32 -30.63 64.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.21 36.04 1.42 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.443 ' HG1' ' HD2' ' A' ' 39' ' ' PHE . 70.3 p -136.5 -75.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 43' ' ' THR . 65.3 p -51.4 -102.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -81.95 -70.39 1.35 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 5.7 p-10 41.32 95.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 1.0 110.789 179.891 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.63 -23.96 3.37 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 46' ' ' ASN . 2.3 tp -86.23 -8.69 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.328 . . . . 1.0 110.501 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.0 t -92.46 -21.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.24 -30.72 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.0 -28.06 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.574 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.516 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -80.87 -27.25 36.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.7 -71.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.59 -30.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -55.14 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -41.01 -59.61 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 53.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 60' ' ' HIS . . . -90.58 86.12 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.514 ' NE2' ' OXT' ' A' ' 64' ' ' HIS . 0.2 OUTLIER 48.97 11.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.827 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 58' ' ' GLY . 25.7 t-80 -74.16 -30.05 62.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.653 -179.74 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.616 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -81.29 -120.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.536 -179.92 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.616 ' N ' ' ND1' ' A' ' 61' ' ' HIS . 32.9 p80 -62.24 128.29 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -59.6 164.76 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' OXT' ' NE2' ' A' ' 59' ' ' HIS . 40.8 m170 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.016 -0.992 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' MET . 1.5 pm0 28.58 56.35 0.11 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.792 0.682 . . . . 1.0 111.6 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.94 48.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.547 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.43 -48.34 0.78 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.29 137.32 0.06 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -140.55 100.47 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 1.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 3.0 t80 -153.02 159.65 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.598 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.9 p-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.8 p-10 -106.79 35.99 2.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.81 86.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.576 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 40.38 34.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.439 0.637 . . . . 1.0 110.601 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.93 88.77 0.67 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.52 56.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 1.0 110.59 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -137.67 46.88 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 17' ' ' SER . 68.2 m-80 -137.51 -35.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.671 ' NE2' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -60.75 -1.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.671 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 28.6 t -42.01 122.16 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.566 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.69 -162.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.2 t 65.01 36.93 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -137.56 -43.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -62.08 -4.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.568 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.5 m -102.06 -34.96 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.42 29.0 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.602 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.46 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.758 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.55 26.02 11.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -120.29 -84.06 0.66 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.257 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.08 22.48 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.416 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.73 6.61 65.49 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.674 -0.971 . . . . 1.0 110.674 -179.678 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.39 38.36 7.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.59 -28.05 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.324 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.1 -41.4 0.44 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 46.1 Cg_exo -54.04 -30.06 57.85 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.057 1.838 . . . . 1.0 111.603 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.87 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.014 179.509 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 34' ' ' ILE . 75.0 mt -98.02 -10.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' ILE . 18.2 t80 -78.59 -42.84 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.546 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.78 -40.56 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.49 -25.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.49 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.98 -19.85 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' MET . 12.7 t80 -81.24 -59.71 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.99 -7.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.6 mt -84.16 -19.7 33.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.593 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.55 -26.23 16.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' GLY . 29.1 p -105.75 -139.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 45' ' ' GLY . 58.0 p 51.72 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -110.31 -66.56 0.55 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 6.1 p-10 41.07 94.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 1.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 3.77 57.18 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.604 -0.998 . . . . 1.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.81 -23.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG23 ' HA3' ' A' ' 45' ' ' GLY . 79.2 t -92.91 -36.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -94.01 -19.05 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.481 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.56 -27.21 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.579 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.493 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -75.38 -24.86 57.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.0 t -68.58 -68.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.85 -2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.842 -179.871 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.38 -62.05 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.14 -179.655 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -41.64 -37.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.744 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -92.02 39.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 1.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . -58.17 -44.28 94.93 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 61' ' ' HIS . 60.1 m-70 -101.23 -56.74 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 1.0 110.569 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.557 ' ND1' ' CE1' ' A' ' 61' ' ' HIS . 25.1 t-80 41.5 -92.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' CE1' ' ND1' ' A' ' 60' ' ' HIS . 20.9 m-70 -41.71 139.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 64' ' ' HIS . 19.1 m170 -46.11 168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -71.44 41.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.574 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.628 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 7.5 pm0 -137.92 77.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -103.34 -160.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.64 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.66 26.86 13.25 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.43 50.41 3.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -154.74 90.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 1.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -151.83 169.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.575 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.8 p-10 44.16 36.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -138.89 42.34 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' O ' ' A' ' 11' ' ' TYR . 1.5 t80 -164.11 112.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' O ' ' CE2' ' A' ' 10' ' ' TYR . 19.9 p90 -46.23 156.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.522 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.39 -114.71 0.31 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.85 67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.706 0.289 . . . . 1.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.34 40.17 3.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' SER . 3.8 p-10 -107.96 -11.99 15.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.01 65.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.507 -179.896 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' ASN . 5.3 t -93.08 42.66 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CG ' ' CD1' ' A' ' 21' ' ' TYR . 16.4 tt0 -140.54 114.76 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 21' ' ' TYR . 8.2 p -155.12 168.05 28.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 53.3 11.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CD1' ' CG ' ' A' ' 18' ' ' GLU . 1.3 p90 -97.21 -14.56 21.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 22' ' ' THR . 67.6 m -99.83 0.07 40.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.616 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.77 20.71 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.22 -88.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.612 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -84.68 -94.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.625 179.837 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 52.95 29.61 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.571 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t 52.49 37.02 21.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.44 11.47 84.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 45.95 48.6 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -134.79 61.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.18 -41.24 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.044 179.836 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.4 Cg_exo -65.16 -50.55 2.0 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.403 2.069 . . . . 1.0 111.963 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.5 -21.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -86.23 -40.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.248 179.852 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -67.17 -55.76 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.376 179.8 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -55.55 -19.15 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.417 179.87 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.2 tp -90.52 -31.94 16.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.246 -179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.4 t -95.54 -1.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -82.08 -23.14 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.605 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -108.97 -43.43 4.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.364 179.846 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 41' ' ' LEU . 4.2 mm? -89.27 21.15 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.476 -179.883 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.99 -8.05 3.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -93.15 -98.16 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 1.0 110.657 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.507 ' H ' HG23 ' A' ' 43' ' ' THR . 76.9 p -41.06 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.69 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -162.8 -73.82 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 42.57 21.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -141.89 -48.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' LEU . 1.4 mt -93.58 -39.91 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 1.0 110.527 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' VAL . 69.7 t -53.32 -10.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' LEU . 33.5 mt -94.6 -26.91 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -19.62 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.621 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -91.02 -22.59 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.52 -58.03 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.31 56.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -76.55 -56.42 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -41.58 -37.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -86.43 41.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.98 -30.99 18.91 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -150.07 -38.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -42.92 120.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -43.5 141.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 3.2 m-70 -163.8 0.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.508 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 14.7 p80 41.68 -164.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.591 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.618 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.553 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 53.21 101.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -166.43 98.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 -31.76 1.23 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.16 -167.03 38.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 42.79 69.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.564 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.41 157.14 42.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.587 179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t70 48.92 39.93 15.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 8.1 t30 -148.28 55.46 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 24.2 m-85 -161.88 68.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.509 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -56.71 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.7 61.49 2.03 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.16 49.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.511 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.95 49.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -148.26 47.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -82.24 -21.79 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.614 179.923 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER 44.66 -170.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.62 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' A' ' 17' ' ' SER . 6.3 mp0 -93.61 155.68 17.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 21' ' ' TYR . 7.6 p -175.88 163.27 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 22' ' ' THR . 10.2 mt-10 55.05 6.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' CYS . 13.9 p90 -71.81 13.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 20' ' ' GLU . 3.3 m -91.64 -49.75 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.498 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' TRP . 5.9 t0 -104.28 28.64 6.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.505 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.54 -102.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.76 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -59.73 -117.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.42 179.888 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 m 56.9 49.54 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 79.64 -22.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.14 -179.703 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 30' ' ' LEU . . . -50.93 -10.64 0.45 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.683 -0.967 . . . . 1.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -74.3 25.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.103 -0.239 . . . . 1.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 28' ' ' GLY . 12.8 mt -109.81 -33.39 6.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.532 179.711 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.58 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -66.6 -40.85 35.64 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.751 -179.835 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.1 Cg_exo -58.37 -19.9 45.56 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.172 1.915 . . . . 1.0 111.799 179.857 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.76 -1.88 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.441 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 34' ' ' ILE . 7.0 mt -108.61 -15.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.403 179.471 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -47.57 67.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.801 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 ptp -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.03 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.81 -65.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.396 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.6 t -55.22 -9.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.519 -179.913 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.67 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.661 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -68.34 -29.33 68.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.606 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.91 18.39 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.569 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.46 -4.74 3.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.684 HG23 ' N ' ' A' ' 44' ' ' THR . 14.5 t -101.93 -139.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.653 0.263 . . . . 1.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.684 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 p 52.08 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.72 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -162.72 52.27 0.31 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -138.14 99.27 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 1.0 110.533 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' H ' HD23 ' A' ' 50' ' ' LEU . . . 145.22 -74.44 0.31 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -42.75 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 1.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.9 t -57.44 -26.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -82.49 -37.75 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.435 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.28 -37.53 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.56 -28.73 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.441 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -98.76 -9.29 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.701 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.3 t80 -101.01 -23.45 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -92.65 -44.98 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.621 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.69 -60.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -72.95 49.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.99 -129.63 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -137.2 -83.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 1.0 110.612 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -163.23 144.75 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.607 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -68.46 90.61 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.588 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -52.93 123.86 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -46.47 128.12 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 2.1 mt-10 68.28 129.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.152 -179.818 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER 78.4 104.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.579 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.4 4.96 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.47 -133.28 0.49 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.53 153.29 44.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 1.0 110.557 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -164.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -146.72 47.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -155.84 41.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.493 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -54.43 98.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -46.41 156.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.95 63.93 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 55.34 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 1.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -86.22 57.25 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.03 44.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -86.07 63.85 8.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.55 129.75 19.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -160.57 112.9 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 p -147.24 152.03 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.53 -63.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -69.66 -0.35 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.513 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.95 17.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.558 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -138.36 4.97 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.88 -166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.529 179.945 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -30.47 86.64 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.594 0.559 . . . . 1.0 111.72 -179.857 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 24' ' ' TRP . 2.7 t -125.59 -21.61 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m 61.3 29.14 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 29' ' ' ALA . . . 79.18 1.31 85.42 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' GLY . . . 50.67 102.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 1.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -98.58 -67.15 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -82.36 -40.33 0.91 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.807 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 28.0 Cg_exo -58.87 -32.24 96.91 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.307 2.004 . . . . 1.0 112.063 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.43 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.6 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.7 -38.38 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -33.41 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.7 mmt -79.97 -49.11 12.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.42 -22.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.774 -179.806 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.4 t -101.64 -30.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.551 179.85 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.8 OUTLIER -81.58 29.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.718 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -168.11 -0.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.792 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -27.07 68.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.253 179.865 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.47 35.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -54.95 2.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 45' ' ' GLY . 84.5 m -75.02 -105.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.567 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.674 ' N ' HG22 ' A' ' 44' ' ' THR . . . -114.8 -81.87 1.01 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 60.39 128.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 1.0 110.47 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -31.49 0.88 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -99.82 -34.12 10.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 1.0 110.492 179.888 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' HA3' ' A' ' 45' ' ' GLY . 16.3 t -64.41 -50.81 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.3 mp -61.48 -40.86 96.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.351 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.32 -41.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.943 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 12.5 m -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.7 t -72.31 -52.14 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.405 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -42.73 -31.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -76.5 -33.24 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' VAL . 23.5 mmtm -67.15 -9.53 40.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.795 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 53' ' ' VAL . 4.9 mmtt -95.07 40.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.395 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.39 65.94 1.0 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' HIS . 76.5 m80 -146.29 -64.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' HIS . 1.6 t60 41.37 -96.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.643 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 1.5 m-70 37.5 -89.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.157 179.748 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.1 m80 -162.57 169.96 19.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.584 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -54.79 94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.595 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 1.0 110.609 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -134.32 -26.22 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.453 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.29 -40.23 0.71 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.769 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.7 Cg_exo -58.62 -37.04 96.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.311 2.007 . . . . 1.0 112.01 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.477 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -86.92 -38.84 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -37.65 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -75.08 -46.97 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.802 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.4 tp -50.21 -24.93 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.296 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 38' ' ' VAL . 92.8 t -99.5 -11.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.438 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 43' ' ' THR . 26.0 t80 -89.38 -69.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 41' ' ' LEU . 1.9 pp -48.8 -24.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 37' ' ' LEU . 2.1 mm? -60.16 -30.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.39 6.02 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 11.0 p -101.62 -139.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.8 m 56.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.1 54.43 0.53 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.826 -0.909 . . . . 1.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 1.0 110.566 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 1.0 110.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 50' ' ' LEU . 25.0 t -75.07 -75.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.75 -14.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -70.43 -51.29 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.533 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.4 t -61.79 -22.99 65.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HD3' ' A' ' 57' ' ' LYS . 86.7 t -68.67 -53.85 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.679 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -79.29 20.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -13.92 8.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 14.0 pttp -102.6 -41.03 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -89.75 37.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.959 0.409 . . . . 1.0 110.282 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 1.0 110.527 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.36 -78.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.527 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -83.23 -33.65 0.58 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.584 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.9 Cg_exo -58.79 -29.36 89.61 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.957 1.771 . . . . 1.0 111.966 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.64 -33.85 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -87.47 -36.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -77.68 -29.19 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.52 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 mm? -72.13 14.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 82.1 t -139.06 -18.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.473 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -84.47 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.48 -16.57 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.584 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 mt -75.35 -15.64 60.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.1 -48.22 2.09 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -149.8 -138.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 1.0 110.639 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.548 ' N ' HG23 ' A' ' 43' ' ' THR . 6.5 m 60.98 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -98.62 28.36 15.36 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 1.0 110.595 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.733 0.301 . . . . 1.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.44 -37.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.699 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.7 -44.78 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.594 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.78 -38.24 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 18.5 m -70.71 -54.58 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -48.21 -21.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.605 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.33 23.78 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.0 mtp180 -130.97 -56.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.558 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -48.15 -52.8 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -77.85 41.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.738 0.304 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.2 mt -110.79 -28.54 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -72.81 -40.46 6.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.2 Cg_exo -58.31 -25.9 74.72 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.349 2.033 . . . . 1.0 112.021 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.32 -36.49 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 34' ' ' ILE . 21.7 mt -84.88 6.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.28 -30.78 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.4 mtt -90.33 -33.26 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.703 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.3 mm? -56.56 -5.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.603 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 48.8 t -111.97 -14.54 10.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.709 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.7 -74.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -35.42 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.686 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 37' ' ' LEU . 5.5 mp -47.05 -31.47 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.47 67.17 0.1 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 44' ' ' THR . 12.2 t -129.0 -35.59 1.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 1.0 110.554 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' THR . 0.6 OUTLIER -102.05 -87.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -165.06 43.42 0.29 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 1.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' LEU . 24.0 tp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.862 0.363 . . . . 1.0 110.409 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 53' ' ' VAL . 60.9 t -47.53 -20.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 46' ' ' ASN . 11.0 mp -91.1 -38.07 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -60.66 -32.4 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.614 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.8 t -81.59 -32.3 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 49' ' ' VAL . 16.3 t -56.03 -56.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -65.24 -19.21 65.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -81.64 41.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.702 0.287 . . . . 1.0 110.56 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -114.13 -25.54 8.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.02 -34.03 0.72 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.491 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.4 Cg_exo -58.53 -25.87 76.14 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.882 1.722 . . . . 1.0 112.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -73.64 -35.15 65.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -85.86 -19.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.73 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.549 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 21.5 mtt -78.95 -35.82 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -55.24 -7.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.306 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 2.8 t -130.37 21.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -126.9 -36.75 2.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.89 -24.63 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -87.04 -25.69 24.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.34 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.6 -24.39 56.29 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -171.57 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 1.0 110.668 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.579 ' N ' HG23 ' A' ' 43' ' ' THR . 3.8 m 62.61 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.61 17.62 49.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.564 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 51' ' ' TRP . 1.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.798 0.332 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -71.91 -25.39 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.07 4.46 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.505 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -89.77 -33.04 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.439 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -75.6 -30.05 59.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.43 -42.68 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -31.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.655 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -60.0 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -48.44 -51.97 24.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -72.89 62.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.643 0.259 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mt -116.42 -31.03 5.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -77.96 -40.23 1.95 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.836 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.4 Cg_exo -59.9 -53.18 3.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.33 2.02 . . . . 1.0 112.002 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.97 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.655 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mt -80.4 -28.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 1.0 110.102 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -74.36 -60.14 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.239 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.86 -26.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.113 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -56.04 25.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' LEU . 2.0 t -73.11 -2.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.637 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 40.6 t80 -84.92 -73.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.15 -7.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.3 mt -66.83 -37.11 83.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.77 51.82 0.29 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 44' ' ' THR . 12.1 t -101.39 -46.31 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 1.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.598 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 p -100.77 -56.32 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.95 -45.8 0.31 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.729 0.299 . . . . 1.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.86 0.362 . . . . 1.0 110.543 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.94 -54.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -41.59 -45.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.51 -36.67 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 17.6 m -79.84 -52.41 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -51.85 -25.3 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -89.59 -18.43 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.556 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -44.42 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -63.57 -46.51 85.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.593 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -77.92 55.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.746 0.307 . . . . 1.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.44 -82.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.77 -33.59 0.72 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.619 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.9 Cg_exo -57.91 -13.49 15.2 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.943 1.762 . . . . 1.0 112.01 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.56 -32.16 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.503 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -84.99 -17.97 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -73.23 -34.67 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mmt -80.49 -29.92 37.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.31 14.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 96.6 t -137.38 -18.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -85.57 -66.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -56.84 -13.59 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 -44.56 21.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.95 -35.7 49.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.717 -0.953 . . . . 1.0 110.717 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.674 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -169.58 -135.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.634 0.254 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m 56.77 -74.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.193 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -74.65 22.68 1.36 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.521 -1.031 . . . . 1.0 110.521 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.522 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 1.0 109.876 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.4 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.774 0.321 . . . . 1.0 110.501 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG21 ' HA2' ' A' ' 45' ' ' GLY . 48.4 t -51.51 -9.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.498 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' LEU . 24.7 mt -96.9 -41.65 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.537 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -59.11 -11.24 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.642 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -101.43 -18.58 15.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 49' ' ' VAL . 43.0 t -72.7 -18.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.498 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -102.78 0.42 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.589 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mmp_? -106.44 -49.71 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.48 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -50.06 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.491 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.08 41.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.528 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.26 -81.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.31 -33.72 0.77 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.551 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.9 Cg_exo -58.35 -35.49 98.64 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.852 1.701 . . . . 1.0 112.037 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.41 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.587 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -86.63 -42.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.463 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.73 -31.87 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.554 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mtt -88.82 -35.61 16.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 41' ' ' LEU . 17.4 tp -55.64 -17.26 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.1 19.48 7.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.271 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 17.3 t80 -124.44 5.97 8.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -138.92 -30.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.786 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 37' ' ' LEU . 1.6 mm? -41.34 -37.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.43 60.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -133.83 -60.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 1.0 110.732 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' OG1' ' A' ' 43' ' ' THR . 0.0 OUTLIER -78.77 -27.0 44.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.543 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . 135.94 -43.5 1.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 5.3 p30 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 1.0 110.669 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -84.51 -30.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.515 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 50' ' ' LEU . 5.4 mt -74.74 -5.83 45.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.469 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.458 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -73.43 -45.52 53.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -64.62 -40.33 95.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.524 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.93 -36.4 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 39.9 t80 -78.98 -8.03 58.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -85.42 -63.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.523 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 5.5 pttp -51.58 -40.03 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 9.0 mttm -75.44 69.27 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.712 0.292 . . . . 1.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.48 -27.98 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.37 -33.5 0.53 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.679 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.2 Cg_exo -57.28 -30.18 86.62 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.977 1.785 . . . . 1.0 111.956 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.627 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -66.12 -37.12 84.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 34' ' ' ILE . 8.4 mt -84.87 -5.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.512 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.446 ' C ' ' H ' ' A' ' 37' ' ' LEU . 5.0 t80 -88.05 -56.77 3.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.553 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.602 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -72.08 10.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.457 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -104.67 6.66 34.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.893 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -136.55 -21.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -73.49 -39.39 64.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.57 -49.77 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.35 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.28 -50.99 20.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.42 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -72.55 -6.91 67.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.7 HG22 ' N ' ' A' ' 44' ' ' THR . 31.7 m -138.68 -122.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.7 ' N ' HG22 ' A' ' 43' ' ' THR . 11.6 m 60.09 -75.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.639 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.62 57.18 0.49 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 1.0 110.343 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.725 0.298 . . . . 1.0 110.361 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' HA2' ' A' ' 45' ' ' GLY . 40.5 t -52.17 -30.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.39 -44.97 23.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.94 -35.93 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.553 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.565 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.9 m -67.78 -48.99 64.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.586 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.34 -34.54 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 51.9 t80 -78.7 -8.67 58.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.57 -51.24 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.657 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -41.54 -51.62 3.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -77.36 42.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.609 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.15 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -85.09 -34.16 0.51 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.605 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.8 Cg_exo -57.26 -16.69 23.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.861 1.707 . . . . 1.0 111.959 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.48 -30.0 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -82.16 -17.52 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.73 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mtt -64.32 -36.77 85.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.75 ' O ' HD22 ' A' ' 41' ' ' LEU . 2.3 mm? -67.36 6.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.7 t -134.24 -3.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.462 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.69 -58.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.567 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.7 OUTLIER -65.85 -32.36 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.614 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 37' ' ' LEU . 6.2 mp -51.3 -46.25 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.18 11.88 55.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 44' ' ' THR . 2.6 m -138.36 -140.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.315 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.688 ' H ' HG22 ' A' ' 43' ' ' THR . 84.2 m 56.45 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.616 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -149.47 40.1 0.89 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 5.4 p30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 1.0 110.633 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.4 t -85.82 -8.39 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -96.3 0.73 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.567 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.556 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.0 -21.83 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.449 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.421 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -86.47 -20.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.488 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.24 -42.58 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -80.84 -10.84 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.615 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -95.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.53 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.512 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.87 40.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.759 0.314 . . . . 1.0 110.643 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.9 -55.49 29.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -95.81 -41.48 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.972 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -56.34 -10.29 4.59 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 112.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -79.28 -32.85 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.599 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mt -92.49 -19.04 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.8 -37.17 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 mtt -81.77 -41.04 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -51.27 -32.87 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -85.1 -21.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 43' ' ' THR . 69.0 t80 -77.58 -62.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.82 0.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.2 mt -86.17 -18.62 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.07 12.83 4.42 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.671 HG21 ' CE1' ' A' ' 39' ' ' PHE . 43.6 p -136.34 -140.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 1.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.495 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 1.1 p 52.05 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -129.03 -54.01 0.11 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.3 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 1.0 110.511 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.744 0.307 . . . . 1.0 110.768 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 51' ' ' TRP . 2.1 t -81.31 -58.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 50' ' ' LEU . 2.1 pp -59.08 -1.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.5 -34.14 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.715 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -76.05 -26.99 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.571 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 77.6 t -71.35 -74.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.22 -22.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -80.31 -66.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.38 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.42 -49.84 12.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -80.98 48.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.414 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.58 0.229 . . . . 1.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.48 54.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.638 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.87 -41.47 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.087 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.8 Cg_exo -67.53 -40.22 10.82 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.366 2.044 . . . . 1.0 112.076 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.648 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.78 -15.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.609 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -100.44 -26.11 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -46.53 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.587 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtt -71.52 -34.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 mm? -59.6 -20.56 56.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.46 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.9 t -103.95 -17.47 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -78.59 -67.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.89 -36.12 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -52.43 -36.06 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.459 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.74 1.41 58.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 44' ' ' THR . 2.7 m -135.31 -142.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 1.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.738 ' H ' HG22 ' A' ' 43' ' ' THR . 0.3 OUTLIER 68.05 -10.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.733 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 135.5 33.83 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.326 . . . . 1.0 110.573 -179.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.746 0.308 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -81.86 -23.92 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.77 5.74 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.605 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -92.66 -30.77 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.473 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -83.08 -29.3 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.28 -44.64 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.43 -19.63 62.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.593 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -58.26 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -50.58 -51.83 44.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.578 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 57' ' ' LYS . 3.1 mptp? -71.89 58.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.79 0.329 . . . . 1.0 110.609 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.9 mt -86.96 -44.54 11.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -92.26 -40.76 0.36 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.878 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -58.36 -30.45 91.24 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.268 1.979 . . . . 1.0 112.095 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.63 77.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.651 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -85.25 -37.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -39.13 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.42 -42.76 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 mp -56.07 -5.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.7 t -118.14 -5.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.553 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 8.2 t80 -104.57 -6.59 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -132.41 -12.97 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -47.88 -47.03 32.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.08 31.51 0.35 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.5 p -124.17 -144.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.362 -0.236 . . . . 1.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.4 p 37.84 -89.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -139.82 -45.29 0.07 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.729 -0.949 . . . . 1.0 110.729 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.9 p30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.836 0.35 . . . . 1.0 110.413 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 51' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.664 0.269 . . . . 1.0 110.771 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 52' ' ' THR . 2.7 t -81.84 -16.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 1.0 110.408 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.2 -31.6 16.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.538 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.07 -11.63 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.711 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.3 t -90.34 -26.56 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 55' ' ' ARG . 51.3 t -73.34 -76.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -39.65 -23.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.771 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.8 tpt180 -79.82 -61.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.517 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -48.8 -53.17 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 1.4 mtmp? -77.17 40.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.772 0.32 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.72 71.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.57 -41.32 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.067 179.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.76 -22.92 49.03 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.88 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.64 -26.88 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -37.63 82.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 8.6 mtt -75.93 -32.98 59.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.09 11.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.2 t -137.89 -5.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 67.7 t80 -99.13 -64.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.64 -16.66 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.25 -58.22 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 37.56 1.8 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 44' ' ' THR . 2.9 t -60.01 -37.62 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 1.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 43' ' ' THR . 73.2 p -95.44 -71.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -156.39 -66.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' GLY . 4.9 m-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 1.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 45' ' ' GLY . 47.5 t -55.23 -24.74 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -84.44 -35.88 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -49.16 -29.0 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.576 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 m -74.63 -53.41 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.29 -54.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -50.29 -16.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.57 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 3.7 mtp180 -101.34 -40.7 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.85 41.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.48 -80.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.83 -33.61 0.66 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.2 Cg_exo -58.05 -28.04 81.87 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.895 1.73 . . . . 1.0 112.046 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -24.48 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -87.6 -27.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -63.27 -51.63 65.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.8 mtt -61.46 -42.85 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.671 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.4 mm? -56.87 -4.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.1 t -132.7 7.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.467 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -112.22 1.82 16.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.17 -18.84 2.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.675 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 37' ' ' LEU . 7.0 mp -56.07 -57.55 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.594 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.93 46.39 0.8 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 t -81.72 -30.12 32.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.335 . . . . 1.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -90.81 -83.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.46 18.34 0.37 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 1.0 110.511 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 51' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.769 0.318 . . . . 1.0 110.461 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.92 -22.42 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.507 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.3 mt -89.17 -25.38 21.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.22 -11.99 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.222 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.3 m -89.14 -53.49 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.404 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.9 t -44.33 -61.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.594 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -61.96 3.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.248 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -112.34 -59.4 2.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.32 . . . . 1.0 110.95 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -43.63 -41.96 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.829 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -90.06 39.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.383 . . . . 1.0 110.32 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.642 0.258 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.51 -27.95 3.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -82.33 -33.85 0.64 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.493 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.8 Cg_exo -58.36 -23.96 65.84 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.931 1.754 . . . . 1.0 111.919 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.504 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.684 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -88.0 -27.54 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.479 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -63.79 -30.62 71.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.3 mtt -78.61 -37.06 43.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.08 -28.91 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.2 3.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -104.2 0.4 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 1.9 pp -142.13 -20.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.659 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.81 -32.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.88 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -98.53 -45.78 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 1.0 110.616 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 43' ' ' THR . 4.5 p -99.61 -96.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.55 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -104.02 -79.44 1.33 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.615 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.821 0.343 . . . . 1.0 110.422 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.518 HG23 ' HA3' ' A' ' 45' ' ' GLY . 72.5 t -53.7 -23.64 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.95 -34.02 33.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -54.64 -33.22 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.614 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.59 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m -72.28 -38.51 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.594 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.89 -45.31 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -29.6 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.597 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -47.33 -52.47 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -75.12 57.48 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.724 0.297 . . . . 1.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.68 57.92 1.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.3 -41.4 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.077 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.6 Cg_exo -65.62 -34.49 41.47 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.338 2.026 . . . . 1.0 112.073 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.764 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -67.16 -7.03 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.12 -17.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.07 -46.39 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -76.7 -36.25 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.459 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 33' ' ' ALA . 3.5 mp -49.73 -17.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.543 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' MET . 65.7 t -100.66 -21.52 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -84.48 -53.58 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.52 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -70.39 -8.69 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -42.15 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.69 -53.4 5.44 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -148.55 -136.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 1.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.575 ' N ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER 71.46 -40.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -158.36 52.61 0.39 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 9.4 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.873 0.368 . . . . 1.0 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.0 t -82.43 -57.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -4.25 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.488 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -78.65 -34.5 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.568 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -67.68 -22.75 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.57 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.76 -33.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -79.02 -10.75 59.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.574 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -92.35 -53.77 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.629 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -48.55 -54.57 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.92 53.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.748 0.308 . . . . 1.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.5 -29.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -81.68 -40.29 1.0 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.786 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.4 Cg_exo -58.37 -32.97 97.34 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.265 1.976 . . . . 1.0 111.977 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.91 -26.31 64.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.1 -33.14 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.528 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -45.56 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.3 ptp -64.45 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.479 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -42.74 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.46 32.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.616 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.675 ' O ' HG22 ' A' ' 43' ' ' THR . 62.9 t80 -124.72 -44.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.503 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.65 -28.92 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -89.58 -5.83 56.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.548 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.812 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -103.81 -23.18 8.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 44' ' ' THR . 3.0 t -97.04 -114.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 1.0 110.65 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.683 ' H ' HG23 ' A' ' 43' ' ' THR . 17.4 p -41.5 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.631 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 159.84 -21.4 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.919 . . . . 1.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.0 p30 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 1.0 110.622 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.92 -31.54 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 52' ' ' THR . 7.9 mt -71.12 -38.23 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -46.22 -20.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.573 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 50' ' ' LEU . 23.2 m -86.78 -60.35 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.3 t -50.23 -45.89 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.593 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -34.98 71.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -80.17 -39.74 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.587 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -45.09 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' ARG . 5.2 mmtt -93.21 40.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.72 0.295 . . . . 1.0 110.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.64 -27.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -83.27 -40.33 0.8 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.722 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.2 Cg_exo -57.65 -34.08 97.6 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.252 1.968 . . . . 1.0 111.996 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.64 68.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.03 -23.16 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.394 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -34.34 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.488 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.3 -41.42 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.552 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 41' ' ' LEU . 44.1 mt -57.55 -3.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.625 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.7 t -120.91 -2.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.342 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -111.75 10.11 20.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.804 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.55 -33.34 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 37' ' ' LEU . 4.2 mp -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.17 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 44' ' ' THR . 1.3 t -102.99 -13.0 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 1.0 110.513 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 43' ' ' THR . 1.3 p -137.09 -41.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.498 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 160.9 -59.28 0.3 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 1.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 49' ' ' VAL . 56.8 t -71.26 -12.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.86 -30.03 15.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -66.54 -8.28 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.625 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.5 t -97.69 -25.46 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.61 -48.89 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.602 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -14.9 63.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -81.86 -69.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -83.49 55.07 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.444 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.362 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.72 -56.25 4.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.586 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.54 -40.39 0.43 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.774 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.4 Cg_exo -58.55 -14.56 21.56 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.257 1.971 . . . . 1.0 112.048 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.76 -32.86 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.33 -28.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.501 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.41 83.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.6 mtt -72.61 -27.4 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.604 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -72.46 14.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 45.6 t -136.54 -13.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.47 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.57 -35.48 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.02 -36.41 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -102.54 6.0 52.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 44' ' ' THR . 3.0 m -137.94 -140.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 1.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER 62.14 -0.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.67 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 142.46 -6.7 2.21 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.717 0.294 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 95.4 t -70.55 -25.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.55 0.29 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.454 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.559 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -87.94 -33.48 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.149 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -69.75 -13.0 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.407 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 -43.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -78.19 -13.37 59.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CH2' ' A' ' 51' ' ' TRP . 15.3 tpp85 -89.92 -61.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -47.44 -27.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.754 0.311 . . . . 1.0 110.604 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.07 42.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.41 -41.34 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.126 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.8 Cg_exo -66.46 -24.44 49.39 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.355 2.036 . . . . 1.0 112.079 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -24.31 61.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 62.9 mt -99.92 -4.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.76 -32.35 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.489 ' C ' ' H ' ' A' ' 38' ' ' VAL . 3.0 mmt -93.5 -21.79 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.72 14.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.232 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.489 ' H ' ' C ' ' A' ' 36' ' ' MET . 58.3 t -129.69 -24.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.0 m-85 -81.93 -68.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.9 pp -49.09 -12.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.5 mm? -66.0 -38.47 88.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.655 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.12 31.12 0.97 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.151 -0.779 . . . . 1.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -179.22 134.93 0.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.836 0.35 . . . . 1.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 81.15 3.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.806 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.619 ' H ' ' ND2' ' A' ' 46' ' ' ASN . . . 158.79 78.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 1.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 1.0 110.364 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.454 HG21 ' H ' ' A' ' 44' ' ' THR . 9.2 t -90.38 -61.16 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.6 3.93 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.536 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.441 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -90.79 -29.63 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.524 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -78.35 -24.04 46.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.84 -42.2 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.69 -21.56 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.665 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -72.51 -56.8 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -31.91 47.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -88.67 45.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.744 0.307 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -135.98 52.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.468 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.2 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.058 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.5 Cg_exo -65.79 -41.11 15.05 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.34 2.026 . . . . 1.0 111.963 -179.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.25 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.589 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.08 -33.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -42.62 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -72.37 -35.91 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.51 -29.5 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.98 35.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -132.44 -38.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.1 pp -68.38 -19.91 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.37 -40.15 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.31 92.49 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 44' ' ' THR . 8.8 t -137.36 -140.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 1.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.541 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 m 69.47 -64.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.51 56.96 0.47 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' LEU . 5.0 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 1.0 110.269 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.38 -20.32 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.427 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 50' ' ' LEU . 3.7 mm? -91.12 -17.68 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.584 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -69.95 -31.89 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.584 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -74.7 -28.06 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.547 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.83 -54.13 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -62.15 -9.21 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.584 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -83.75 -64.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -57.4 -36.97 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -88.49 41.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.928 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.784 0.326 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -83.69 -81.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -81.37 -33.63 0.68 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.627 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.0 Cg_exo -58.51 -17.4 34.22 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.881 1.721 . . . . 1.0 112.019 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.55 77.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -84.74 -18.25 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.68 -35.55 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.4 mtt -84.43 -34.9 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.75 -3.61 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 38' ' ' VAL . 81.1 t -113.25 -8.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.611 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -22.84 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.738 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 -0.86 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.747 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -94.61 -8.71 37.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.429 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.841 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -101.58 -34.69 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.7 t -104.26 -140.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 1.0 110.429 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' N ' ' A' ' 45' ' ' GLY . 31.0 m 39.56 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.792 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 44' ' ' THR . . . -153.79 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 m-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 1.0 110.642 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.784 0.326 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.474 ' C ' ' N ' ' A' ' 51' ' ' TRP . 42.3 t -81.45 -64.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -48.74 -13.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -70.95 -38.69 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.552 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.605 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -68.94 -25.42 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.7 t -73.94 -58.28 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.89 -10.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -91.59 -59.2 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.535 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -54.79 -51.29 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.4 mptt -77.09 49.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.976 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.857 0.361 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.33 44.24 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.512 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.578 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 170.71 -41.22 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.098 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.9 Cg_exo -67.56 -24.45 42.0 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.327 2.018 . . . . 1.0 112.038 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -37.05 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.78 7.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -50.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mmt -76.57 -36.47 57.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.11 -22.75 6.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.74 3.97 8.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.93 4.81 25.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -148.67 -16.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.52 31.33 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 -55.22 2.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.822 0.344 . . . . 1.0 110.605 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 p -72.31 -102.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -140.77 -38.2 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 5.6 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 1.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.791 0.329 . . . . 1.0 110.486 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' THR . 98.9 t -91.98 -28.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.65 -7.45 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -77.88 -33.34 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -69.35 -26.79 64.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.457 HG12 ' HE3' ' A' ' 57' ' ' LYS . 89.8 t -68.07 -54.6 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.38 -26.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.545 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -82.08 -44.68 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.563 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.614 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -92.06 39.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.517 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.948 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.682 0.277 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.76 41.02 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.85 -41.41 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.035 179.78 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.88 -12.89 37.82 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.315 2.01 . . . . 1.0 112.011 -179.598 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.31 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.511 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -89.41 -26.98 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -38.83 84.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.5 mmt -79.49 -46.71 16.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.717 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' MET . 88.1 t -97.16 -32.41 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.1 t80 -58.23 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.742 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.97 -45.64 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.476 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.3 mm? -63.58 2.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.592 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 40' ' ' LEU . . . -134.82 7.23 4.5 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 38.5 p -140.01 -38.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 1.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 46' ' ' ASN . 24.6 p -102.94 -55.15 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.75 -0.55 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 1.0 110.602 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 1.0 110.646 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.04 -19.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.16 -23.94 20.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.771 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -62.85 -31.3 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.585 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 t -68.88 -10.64 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 55' ' ' ARG . 24.1 t -84.35 -50.17 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.48 1.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' VAL . 4.8 mmp_? -95.19 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -55.36 -36.82 66.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -88.38 41.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.691 0.282 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -121.73 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.439 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.89 -40.36 7.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.745 179.805 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.75 -39.81 84.37 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.29 1.993 . . . . 1.0 112.093 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.61 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 34' ' ' ILE . 7.6 mt -91.22 -9.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -81.69 -38.98 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.6 mtp -79.52 -34.17 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.58 -16.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 38' ' ' VAL . 57.2 t -102.39 -13.63 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.3 t80 -94.93 -64.5 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.95 -19.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 -47.26 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -83.35 9.5 61.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.751 -0.939 . . . . 1.0 110.751 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 44' ' ' THR . 22.2 m -142.41 -127.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 1.0 110.659 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 43' ' ' THR . 91.0 m 56.54 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.613 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -143.37 56.37 0.56 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.474 -1.05 . . . . 1.0 110.474 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 -179.697 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.798 0.333 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.4 t -43.06 -53.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.4 mp -71.36 -57.37 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -44.19 -30.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.49 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 54' ' ' PHE . 5.4 m -80.03 -44.17 20.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 49' ' ' VAL . 59.0 t -59.8 -2.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -117.16 -7.78 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -90.83 -24.88 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.35 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -86.7 -18.37 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.461 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -87.94 38.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.257 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.888 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.711 0.291 . . . . 1.0 110.568 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.19 58.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.42 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.178 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.77 -39.98 18.61 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.367 2.045 . . . . 1.0 112.092 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.8 -26.8 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -86.41 -43.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.493 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.83 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.491 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -49.65 56.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.455 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 41' ' ' LEU . 45.2 tp -49.44 -25.26 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.46 -19.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' LEU . 17.9 t80 -79.56 -66.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.19 -0.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -85.86 -25.21 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.566 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.94 -25.14 10.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.0 t -140.46 -140.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' THR . 58.7 m 56.93 -79.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.51 18.09 48.78 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.53 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.35 -21.84 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.41 4.44 50.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -90.67 -22.48 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.451 179.872 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 m -95.04 -27.66 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.79 -18.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.537 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 3.0 t80 -101.44 -13.03 18.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -41.86 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -75.54 -38.98 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -86.95 41.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.059 0.457 . . . . 1.0 110.235 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.721 0.296 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.23 73.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.556 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.29 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.11 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.75 -2.14 6.02 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.33 2.02 . . . . 1.0 112.014 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -92.28 -26.15 18.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.445 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 34' ' ' ILE . 72.8 mt -94.59 -7.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.424 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -52.35 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.6 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.464 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.7 -0.32 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.594 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -93.95 6.96 46.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.28 -23.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -71.35 -17.34 62.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.531 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.73 -35.34 4.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.8 mm? -84.54 28.2 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.426 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.32 -33.78 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.15 -102.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 1.0 110.553 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 43' ' ' THR . 72.0 p -44.43 -86.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . 178.37 -68.25 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' GLY . 5.2 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 1.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.754 0.311 . . . . 1.0 110.517 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.1 t -47.26 -26.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.56 -45.34 22.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -42.18 -37.46 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.582 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.611 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -66.37 -55.09 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.02 -18.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 23.52 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.5 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.71 -31.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.85 -29.14 27.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -92.28 41.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.515 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.896 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.721 0.296 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.97 -33.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -82.26 -33.93 0.64 Allowed Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.435 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.5 Cg_exo -57.92 -35.21 98.91 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.974 1.783 . . . . 1.0 111.885 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.54 -27.99 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.528 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 34' ' ' ILE . 63.0 mt -82.48 -10.61 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.462 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 20.2 mtt -63.5 -30.95 71.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.462 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.39 -2.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' VAL . 65.1 t -128.77 10.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.475 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 55.3 t80 -128.13 23.16 6.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -138.77 -12.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.608 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -85.38 -26.13 26.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.034 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -103.87 -8.01 40.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.671 -0.972 . . . . 1.0 110.671 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 9.0 p -134.82 88.9 2.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 45' ' ' GLY . 3.2 m -177.42 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.15 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 44' ' ' THR . . . -136.29 14.21 4.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.646 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.825 0.345 . . . . 1.0 110.483 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.35 -25.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.4 mt -82.06 -33.87 29.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.256 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -48.05 -25.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.215 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -76.64 -44.42 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -82.56 -63.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.45 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -40.38 -34.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -39.26 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.715 -179.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -48.08 -69.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.46 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.577 ' CD ' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.92 69.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 1.0 110.1 179.653 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.826 0.346 . . . . 1.0 110.607 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -136.06 57.03 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 168.99 -41.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.051 179.797 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.1 Cg_exo -65.1 -47.71 4.38 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.436 2.091 . . . . 1.0 112.045 -179.594 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.51 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -82.97 -36.7 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -68.48 -48.95 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.431 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -25.19 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -64.27 -33.85 76.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.48 4.98 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' LEU . 74.8 t80 -93.6 -64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.577 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.24 -1.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt -102.08 0.68 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.65 1.94 3.31 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 t -102.11 -19.42 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -91.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.556 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.55 -65.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 1.0 110.612 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.813 0.339 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 49' ' ' VAL . 64.6 t -71.01 -15.67 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.35 -2.46 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.577 179.838 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -84.9 -25.38 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 t -77.48 -17.72 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' NZ ' ' A' ' 57' ' ' LYS . 85.8 t -81.59 -56.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.65 -43.31 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 13.7 ttm180 -64.97 -47.47 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -53.34 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.477 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' NZ ' ' CG1' ' A' ' 53' ' ' VAL . 11.2 mttt -79.69 41.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.525 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 179.954 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.734 0.302 . . . . 1.0 110.493 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.17 -27.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -85.75 -40.32 0.6 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.763 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.9 Cg_exo -59.92 -48.29 12.94 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.287 1.991 . . . . 1.0 111.939 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -54.72 -17.74 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -100.11 -20.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -46.08 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 72.6 mtm -73.41 -21.83 60.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.556 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -73.43 15.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.216 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.1 t -132.78 -26.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.313 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 m-85 -75.48 -68.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.506 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -57.49 -4.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 tp -80.88 -58.22 3.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.686 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.34 -34.37 8.83 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.099 -0.801 . . . . 1.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 44' ' ' THR . 9.0 t -164.58 -136.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 1.0 110.686 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.637 ' N ' HG23 ' A' ' 43' ' ' THR . 1.4 m 63.52 -69.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.717 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.46 31.71 8.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.529 179.916 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 1.0 110.454 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.13 -40.12 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.81 -7.06 57.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.476 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -76.47 -47.52 22.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -52.46 -25.68 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.5 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ARG . 84.7 t -67.37 -87.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.59 -21.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.668 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.9 tpm_? -77.68 -73.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.439 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' GLY . 13.6 pttp -55.77 -22.47 24.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.739 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -71.68 41.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.502 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.859 0.361 . . . . 1.0 110.663 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.31 43.71 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.49 -41.39 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -66.86 -19.04 53.0 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.359 2.04 . . . . 1.0 112.027 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.5 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.4 mp -86.73 -30.85 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.481 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -46.96 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -48.04 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -51.57 -15.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 88.1 t -103.6 -25.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.479 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -75.95 -66.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.618 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.73 -0.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.644 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.23 -45.09 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.593 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.13 45.03 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -101.71 -30.78 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -137.36 -87.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.68 -71.81 0.02 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 1.0 110.563 179.983 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.893 0.378 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.78 -24.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -90.95 -13.89 32.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.52 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.507 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.5 t -72.76 -25.74 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.46 -73.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.36 -36.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -57.36 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 58' ' ' GLY . 8.0 mmmt -44.4 -39.6 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.02 42.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.738 0.304 . . . . 1.0 110.594 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.35 -34.68 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.601 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.76 -40.22 0.67 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.1 Cg_exo -59.56 -51.01 6.87 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.272 1.982 . . . . 1.0 112.01 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.25 -30.99 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.703 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -80.24 -31.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.59 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.292 179.742 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -32.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 1.0 109.959 179.439 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -55.97 20.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.384 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.04 13.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.622 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -107.98 -46.0 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.722 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.47 -37.27 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.709 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -79.31 -25.05 42.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.458 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.27 -28.64 55.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.604 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -171.9 -133.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 1.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.604 ' N ' HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER 71.31 -40.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -146.71 23.07 1.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.0 110.595 -179.957 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.6 t -56.87 -15.23 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.78 -23.67 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -70.49 -31.03 67.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.577 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.528 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.6 t -81.38 -30.01 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.9 t -64.12 -65.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.19 -15.92 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.554 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 4.6 ttm180 -86.28 -54.68 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -42.21 -43.43 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.544 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -81.56 41.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.981 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.732 0.301 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.24 35.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.435 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 172.35 -40.85 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.373 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.179 179.579 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.1 Cg_exo -67.01 -31.43 37.23 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.342 2.028 . . . . 1.0 111.952 -179.588 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.41 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.44 -25.49 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.406 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.63 -34.74 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 41' ' ' LEU . 43.6 tp -53.65 -24.45 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 41' ' ' LEU . 58.0 t -103.01 -3.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.551 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' HG21 ' A' ' 43' ' ' THR . 57.4 t80 -87.28 3.9 44.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -121.94 -22.32 5.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 38' ' ' VAL . 4.9 mp -41.25 -34.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.651 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.96 56.64 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 44' ' ' THR . 63.6 p -102.0 -102.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 43' ' ' THR . 59.7 p -41.66 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -136.3 -71.57 0.06 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.532 179.964 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.781 0.324 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.57 -37.28 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.52 -42.97 77.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.9 m -67.21 -44.63 79.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.17 -44.87 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -36.99 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.645 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -73.52 -46.48 47.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -41.47 -62.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.516 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.87 42.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.597 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.713 0.292 . . . . 1.0 110.635 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.34 38.88 2.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.467 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.63 -41.43 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.454 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.985 179.835 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.7 Cg_exo -66.2 -12.27 34.83 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.379 2.053 . . . . 1.0 111.931 -179.738 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.31 -32.51 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 7.0 mt -80.26 -23.56 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.348 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.71 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.415 179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -64.27 -44.86 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.368 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.78 -10.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.425 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.4 t -108.64 -13.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.617 -179.89 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' CD2' ' OG1' ' A' ' 44' ' ' THR . 4.5 t80 -93.53 -35.73 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -94.74 -18.8 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.784 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -53.99 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.618 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.7 50.53 0.22 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -136.23 -55.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.54 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 45' ' ' GLY . 87.1 m -86.49 -111.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 44' ' ' THR . . . -73.39 -64.19 2.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.773 0.32 . . . . 1.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.802 0.334 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG23 ' HA3' ' A' ' 45' ' ' GLY . 41.8 t -60.2 -18.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.508 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.66 -19.85 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.518 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.26 -32.67 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.547 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.45 -39.84 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.513 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.17 -23.76 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.06 4.0 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HE ' ' CA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.17 -52.61 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.586 -179.943 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -66.28 -39.81 89.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.74 55.91 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.953 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.648 0.261 . . . . 1.0 110.52 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -121.91 -24.86 5.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.71 -33.95 0.52 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.617 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -57.35 -23.21 53.65 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.007 1.805 . . . . 1.0 111.999 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -39.27 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 34' ' ' ILE . 13.4 mt -85.44 2.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.66 -32.98 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 17.0 mtt -86.06 -25.31 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.77 13.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 47.4 t -134.33 -13.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -57.26 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -2.74 22.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -96.1 -39.54 9.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.91 179.807 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.15 20.63 49.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 44' ' ' THR . 7.2 t -88.42 -142.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.622 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 43' ' ' THR . 63.7 p 36.57 -87.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.221 179.566 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.01 -45.17 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 4.9 p30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.762 0.315 . . . . 1.0 110.638 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 1.0 110.586 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.35 -21.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 mt -84.68 -43.63 14.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.25 -39.41 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.594 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -70.9 -43.03 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.8 -31.97 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 63.8 t80 -85.85 -5.49 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.26 -45.65 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.947 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 13.1 mmtt -55.0 -60.56 3.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.96 71.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.775 0.321 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.14 72.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.558 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.48 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.121 179.788 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.5 Cg_exo -66.45 -22.6 51.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.419 2.079 . . . . 1.0 112.038 -179.629 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.85 -18.38 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.553 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -92.85 -22.27 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -38.22 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.511 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -83.77 -41.99 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.558 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 41' ' ' LEU . 40.6 tp -45.03 -26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.454 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.79 -27.67 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' A' ' 41' ' ' LEU . 24.5 t80 -74.41 -71.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -52.75 -9.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.525 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -72.32 -30.63 64.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.21 36.04 1.42 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.443 ' HG1' ' HD2' ' A' ' 39' ' ' PHE . 70.3 p -136.5 -75.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 43' ' ' THR . 65.3 p -51.4 -102.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -81.95 -70.39 1.35 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.8 p30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 1.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.79 0.328 . . . . 1.0 110.501 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.0 t -92.46 -21.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.24 -30.72 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.0 -28.06 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.574 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.516 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -80.87 -27.25 36.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.7 -71.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.59 -30.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -55.14 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -41.01 -59.61 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 53.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.769 0.319 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.59 -28.05 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.324 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.1 -41.4 0.44 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 46.1 Cg_exo -54.04 -30.06 57.85 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.057 1.838 . . . . 1.0 111.603 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.87 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.014 179.509 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 34' ' ' ILE . 75.0 mt -98.02 -10.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' ILE . 18.2 t80 -78.59 -42.84 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.546 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.78 -40.56 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.49 -25.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.49 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.98 -19.85 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' MET . 12.7 t80 -81.24 -59.71 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.99 -7.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.6 mt -84.16 -19.7 33.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.593 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.55 -26.23 16.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' GLY . 29.1 p -105.75 -139.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 45' ' ' GLY . 58.0 p 51.72 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -110.31 -66.56 0.55 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.1 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 1.0 110.712 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.813 0.339 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG23 ' HA3' ' A' ' 45' ' ' GLY . 79.2 t -92.91 -36.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -94.01 -19.05 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.481 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.56 -27.21 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.579 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.493 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -75.38 -24.86 57.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.0 t -68.58 -68.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.85 -2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.842 -179.871 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.38 -62.05 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.14 -179.655 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -41.64 -37.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.744 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -92.02 39.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 1.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 1.0 110.567 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -134.79 61.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.18 -41.24 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.044 179.836 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.4 Cg_exo -65.16 -50.55 2.0 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.403 2.069 . . . . 1.0 111.963 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.5 -21.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -86.23 -40.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.248 179.852 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -67.17 -55.76 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.376 179.8 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -55.55 -19.15 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.417 179.87 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.2 tp -90.52 -31.94 16.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.246 -179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.4 t -95.54 -1.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -82.08 -23.14 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.605 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -108.97 -43.43 4.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.364 179.846 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 41' ' ' LEU . 4.2 mm? -89.27 21.15 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.476 -179.883 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.99 -8.05 3.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -93.15 -98.16 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 1.0 110.657 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.507 ' H ' HG23 ' A' ' 43' ' ' THR . 76.9 p -41.06 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.69 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -162.8 -73.82 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.586 -179.96 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.83 0.348 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' VAL . 69.7 t -53.32 -10.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' LEU . 33.5 mt -94.6 -26.91 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -19.62 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.621 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -91.02 -22.59 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.52 -58.03 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.31 56.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -76.55 -56.42 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -41.58 -37.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -86.43 41.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.957 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.557 0.218 . . . . 1.0 110.683 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.81 -33.39 6.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.532 179.711 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.58 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -66.6 -40.85 35.64 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.751 -179.835 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.1 Cg_exo -58.37 -19.9 45.56 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.172 1.915 . . . . 1.0 111.799 179.857 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.76 -1.88 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.441 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 34' ' ' ILE . 7.0 mt -108.61 -15.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.403 179.471 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -47.57 67.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.801 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 ptp -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.03 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.81 -65.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.396 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.6 t -55.22 -9.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.519 -179.913 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.67 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.661 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' H ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -68.34 -29.33 68.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.606 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.91 18.39 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.569 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.46 -4.74 3.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.684 HG23 ' N ' ' A' ' 44' ' ' THR . 14.5 t -101.93 -139.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.653 0.263 . . . . 1.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.684 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 p 52.08 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.72 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -162.72 52.27 0.31 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 1.0 110.533 -179.98 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.369 . . . . 1.0 110.291 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.9 t -57.44 -26.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.57 ' N ' HD22 ' A' ' 50' ' ' LEU . 3.7 mm? -82.49 -37.75 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.435 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.28 -37.53 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.56 -28.73 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.441 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -98.76 -9.29 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.701 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.3 t80 -101.01 -23.45 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -92.65 -44.98 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.621 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.69 -60.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -72.95 49.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.922 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -98.58 -67.15 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -82.36 -40.33 0.91 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.807 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 28.0 Cg_exo -58.87 -32.24 96.91 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.307 2.004 . . . . 1.0 112.063 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.43 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.6 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.7 -38.38 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -33.41 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.7 mmt -79.97 -49.11 12.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.42 -22.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.774 -179.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.4 t -101.64 -30.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.551 179.85 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.8 OUTLIER -81.58 29.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.718 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -168.11 -0.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.792 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -27.07 68.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.253 179.865 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.47 35.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -54.95 2.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 45' ' ' GLY . 84.5 m -75.02 -105.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.567 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.674 ' N ' HG22 ' A' ' 44' ' ' THR . . . -114.8 -81.87 1.01 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 1.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 1.0 110.492 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' HA3' ' A' ' 45' ' ' GLY . 16.3 t -64.41 -50.81 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.3 mp -61.48 -40.86 96.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.351 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.32 -41.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.943 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 12.5 m -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.7 t -72.31 -52.14 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.405 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -42.73 -31.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -76.5 -33.24 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' VAL . 23.5 mmtm -67.15 -9.53 40.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.795 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 53' ' ' VAL . 4.9 mmtt -95.07 40.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.395 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 mmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.46 87.88 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -152.35 103.5 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.58 -47.87 0.9 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.88 171.42 48.21 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.56 122.15 12.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 1.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 41.87 89.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 15.8 t70 -141.35 52.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 76.0 m-20 -138.08 46.16 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.58 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 2.1 t80 -55.64 101.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 2.5 p90 -56.91 169.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 153.29 -40.01 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 78.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 1.0 110.596 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -92.26 74.69 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.607 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.563 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -153.09 -69.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' NE2' ' N ' ' A' ' 15' ' ' ASN . 3.0 pm0 27.81 43.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.817 0.698 . . . . 1.0 111.672 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ASN . 36.3 m -97.4 144.35 27.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -77.77 61.21 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.533 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.47 45.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' THR . 12.8 tt0 -162.75 -35.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' O ' ' CE2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -58.27 -3.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 20' ' ' GLU . 95.1 m -101.37 -38.89 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.533 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' TRP . 37.8 m-20 -107.82 21.83 16.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.599 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.48 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.67 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -67.85 66.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 1.0 110.583 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 t -137.21 -55.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -155.9 19.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.13 3.87 78.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.59 38.31 29.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 1.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -134.32 -26.22 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.453 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.29 -40.23 0.71 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.769 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.7 Cg_exo -58.62 -37.04 96.3 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.311 2.007 . . . . 1.0 112.01 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.477 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.0 mt -86.92 -38.84 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -37.65 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -75.08 -46.97 31.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.802 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.4 tp -50.21 -24.93 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.296 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 38' ' ' VAL . 92.8 t -99.5 -11.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.438 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 43' ' ' THR . 26.0 t80 -89.38 -69.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 41' ' ' LEU . 1.9 pp -48.8 -24.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 37' ' ' LEU . 2.1 mm? -60.16 -30.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.473 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.39 6.02 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 11.0 p -101.62 -139.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.8 m 56.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.1 54.43 0.53 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.826 -0.909 . . . . 1.0 110.826 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -146.85 113.76 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 1.0 110.566 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.95 -37.59 3.24 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.24 -16.8 36.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 1.0 110.526 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 50' ' ' LEU . 25.0 t -75.07 -75.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -47.75 -14.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -70.43 -51.29 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.533 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.4 t -61.79 -22.99 65.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HD3' ' A' ' 57' ' ' LYS . 86.7 t -68.67 -53.85 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.679 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -79.29 20.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -13.92 8.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 14.0 pttp -102.6 -41.03 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -89.75 37.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.959 0.409 . . . . 1.0 110.282 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.52 -131.64 0.11 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.45 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER 43.15 -162.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.546 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.8 23.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -58.24 163.32 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.553 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -56.32 166.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.556 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.36 88.37 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -139.03 52.21 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.33 36.74 0.14 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -81.83 -89.91 0.61 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 5' ' ' GLY . 4.8 t70 44.77 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 1.0 110.563 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -155.99 129.0 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -153.34 48.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.551 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' TYR . 17.6 t-20 49.15 40.02 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.513 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ASN . 21.2 t80 43.38 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -54.1 168.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.7 40.06 2.6 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.42 59.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 1.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.42 75.78 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -140.69 10.11 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -86.77 64.25 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.587 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 121.66 23.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -141.16 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -140.7 6.67 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.33 -33.08 10.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -98.93 -12.97 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -101.27 -22.66 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.644 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -88.14 -13.33 41.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.613 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 1.6 p-90 -54.96 -36.5 65.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.501 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 1.4 mtpp -162.3 107.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.23 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m 51.91 40.54 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.0 8.92 52.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.94 94.94 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 1.0 110.527 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.36 -78.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.527 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -83.23 -33.65 0.58 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.584 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.9 Cg_exo -58.79 -29.36 89.61 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.957 1.771 . . . . 1.0 111.966 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.64 -33.85 70.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -87.47 -36.86 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -77.68 -29.19 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.52 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 mm? -72.13 14.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 82.1 t -139.06 -18.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.473 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -84.47 -62.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.48 -16.57 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.584 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 mt -75.35 -15.64 60.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.1 -48.22 2.09 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -149.8 -138.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 1.0 110.639 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.548 ' N ' HG23 ' A' ' 43' ' ' THR . 6.5 m 60.98 -74.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -98.62 28.36 15.36 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -155.03 116.27 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 1.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.74 -22.58 16.74 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.49 -20.29 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 1.0 110.601 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.44 -37.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.699 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.7 -44.78 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.594 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.78 -38.24 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 18.5 m -70.71 -54.58 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -48.21 -21.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.605 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.33 23.78 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.0 mtp180 -130.97 -56.81 1.04 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.558 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -48.15 -52.8 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -77.85 41.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.34 -89.02 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -101.18 -50.15 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.81 136.4 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -98.28 160.76 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -57.89 104.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.564 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -45.7 153.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.576 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 17.8 t60 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.576 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 48.62 50.0 17.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -166.77 103.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.515 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -38.47 0.78 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.76 104.13 0.29 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.07 147.49 26.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 1.0 110.623 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -139.65 128.94 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.534 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -153.6 57.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -141.89 42.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.59 124.24 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -57.49 167.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.55 -60.24 0.03 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.52 66.68 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.57 57.54 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.623 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.28 25.08 2.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.549 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.55 66.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.58 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 m -141.56 -169.39 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.599 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -164.21 24.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 22' ' ' THR . 13.7 tt0 -138.9 -36.06 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.541 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -61.63 -0.26 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 20' ' ' GLU . 96.2 m -88.96 -19.54 25.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.7 t0 -96.03 22.87 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.18 -102.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.576 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 1.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 27' ' ' SER . 44.7 t 52.5 40.52 29.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.643 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 75.19 1.91 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.528 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.81 -8.21 70.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.72 12.0 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.738 0.304 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.2 mt -110.79 -28.54 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -72.81 -40.46 6.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.2 Cg_exo -58.31 -25.9 74.72 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.349 2.033 . . . . 1.0 112.021 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.32 -36.49 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 34' ' ' ILE . 21.7 mt -84.88 6.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.28 -30.78 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.591 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.4 mtt -90.33 -33.26 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.703 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.3 mm? -56.56 -5.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.603 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 48.8 t -111.97 -14.54 10.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.709 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.7 -74.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -35.42 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.686 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 37' ' ' LEU . 5.5 mp -47.05 -31.47 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.47 67.17 0.1 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 44' ' ' THR . 12.2 t -129.0 -35.59 1.83 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 1.0 110.554 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' THR . 0.6 OUTLIER -102.05 -87.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.574 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -165.06 43.42 0.29 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -39.63 -60.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 1.0 110.943 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.97 -23.27 23.24 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' LEU . 24.0 tp -65.06 -59.13 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 1.0 110.409 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 53' ' ' VAL . 60.9 t -47.53 -20.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 46' ' ' ASN . 11.0 mp -91.1 -38.07 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -60.66 -32.4 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.614 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.8 t -81.59 -32.3 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 49' ' ' VAL . 16.3 t -56.03 -56.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -65.24 -19.21 65.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -60.44 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -81.64 41.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.74 35.35 4.46 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -98.62 -73.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 1.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER 40.96 92.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.739 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -67.92 155.99 38.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 62' ' ' HIS . 8.9 p80 -57.63 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.534 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -57.4 168.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.564 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mtp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -171.39 96.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -139.91 75.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.7 39.14 2.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.3 175.28 51.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 41.86 92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 1.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.44 158.12 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.61 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -146.91 54.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.549 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -138.76 42.75 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -53.09 95.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.519 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.01 178.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.522 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.38 123.27 0.82 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.78 49.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 1.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.01 71.42 6.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.573 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -149.18 29.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.89 64.11 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.597 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.42 118.11 29.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.15 175.45 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.86 166.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 54.5 11.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.539 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -98.35 -2.36 39.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.533 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.5 m -98.61 -26.14 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.559 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 24' ' ' TRP . 2.0 p-10 -90.46 21.14 4.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.62 -100.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.618 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -57.53 -72.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 1.0 110.62 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.4 12.4 1.03 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.549 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.5 m -166.51 -38.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 32' ' ' PRO . . . -73.57 8.43 10.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.6 6.16 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 1.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -114.13 -25.54 8.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.02 -34.03 0.72 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.491 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.4 Cg_exo -58.53 -25.87 76.14 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.882 1.722 . . . . 1.0 112.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -73.64 -35.15 65.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -85.86 -19.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.558 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.73 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.549 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 21.5 mtt -78.95 -35.82 42.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -55.24 -7.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.306 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 2.8 t -130.37 21.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -126.9 -36.75 2.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.89 -24.63 59.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -87.04 -25.69 24.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.34 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.6 -24.39 56.29 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -171.57 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 1.0 110.668 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.579 ' N ' HG23 ' A' ' 43' ' ' THR . 3.8 m 62.61 -71.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.61 17.62 49.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -138.84 87.7 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.72 -19.51 0.44 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 51' ' ' TRP . 1.3 mt -138.21 -15.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 1.0 110.54 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -71.91 -25.39 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.07 4.46 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.505 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -89.77 -33.04 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.439 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -75.6 -30.05 59.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.43 -42.68 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -31.52 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.655 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -60.0 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -48.44 -51.97 24.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -72.89 62.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.84 89.75 0.83 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -97.52 -62.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.343 . . . . 1.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 53.7 t-80 41.99 74.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 14.7 p80 -88.43 121.83 31.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.508 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -56.4 142.29 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.538 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' CD2' ' C ' ' A' ' 63' ' ' HIS . 1.9 t-160 -164.17 96.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.6 t60 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.546 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.84 42.05 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -147.16 49.06 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.48 -67.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 139.64 175.7 14.4 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.834 0.35 . . . . 1.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -152.24 165.55 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.559 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -154.47 52.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -139.12 49.98 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 1.1 t80 -51.77 109.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -50.78 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.544 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -152.14 99.23 0.19 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.94 76.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 1.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 12' ' ' GLY . 52.7 p30 -86.63 48.18 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -149.92 52.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.59 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.658 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -72.38 7.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.555 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 41.16 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -137.54 152.91 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 m -57.97 -101.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.0 tt0 -99.72 1.44 43.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.584 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CD2' ' C ' ' A' ' 20' ' ' GLU . 43.7 p90 38.39 24.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.002 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.4 m -100.83 -48.42 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.554 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -101.38 29.14 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.588 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.14 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.625 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 86.06 4.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 1.0 110.626 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -154.64 -79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.502 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.53 39.15 24.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.48 -5.41 36.74 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.8 27.27 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.643 0.259 . . . . 1.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mt -116.42 -31.03 5.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -77.96 -40.23 1.95 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.836 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.4 Cg_exo -59.9 -53.18 3.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.33 2.02 . . . . 1.0 112.002 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.99 -29.97 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.655 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mt -80.4 -28.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 1.0 110.102 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -74.36 -60.14 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.239 179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.86 -26.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.113 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -56.04 25.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 41' ' ' LEU . 2.0 t -73.11 -2.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.637 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 40.6 t80 -84.92 -73.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.608 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.15 -7.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.3 mt -66.83 -37.11 83.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.77 51.82 0.29 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.598 HG23 ' N ' ' A' ' 44' ' ' THR . 12.1 t -101.39 -46.31 5.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 1.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.598 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 p -100.77 -56.32 2.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.95 -45.8 0.31 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.35 112.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.729 0.299 . . . . 1.0 110.572 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.31 -82.49 0.27 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -142.47 1.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 1.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.94 -54.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -41.59 -45.74 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.51 -36.67 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 17.6 m -79.84 -52.41 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -51.85 -25.3 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -89.59 -18.43 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.556 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 -44.42 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -63.57 -46.51 85.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.593 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -77.92 55.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.73 -126.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -93.83 -66.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.32 . . . . 1.0 110.526 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.53 68.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 6.1 p80 -72.05 -48.68 42.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.606 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 8.6 t60 -163.93 125.78 2.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 7.6 m170 -162.6 140.96 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.513 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.51 100.26 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.59 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -138.89 49.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.526 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.43 -70.02 0.18 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.1 -84.46 0.17 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.84 -163.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 1.0 110.599 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.1 156.88 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -153.19 57.78 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.21 45.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -53.99 98.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.683 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -56.93 165.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.89 45.32 0.34 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -143.42 62.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.68 49.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.75 5.43 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -59.03 -25.35 63.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.522 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER 41.26 93.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.655 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.97 96.4 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 9.9 m -138.67 164.11 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.584 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 22' ' ' THR . 2.2 mt-10 67.55 -65.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -65.52 -0.71 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.459 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -88.39 -36.26 16.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.657 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -88.17 23.88 2.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.568 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.27 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.66 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.29 73.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 1.0 110.615 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 t -69.16 -56.68 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.541 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.44 15.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.545 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 62.15 3.78 5.42 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.15 101.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.746 0.307 . . . . 1.0 110.606 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.44 -82.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.77 -33.59 0.72 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.619 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.9 Cg_exo -57.91 -13.49 15.2 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.943 1.762 . . . . 1.0 112.01 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.56 -32.16 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.503 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.8 mt -84.99 -17.97 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -73.23 -34.67 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mmt -80.49 -29.92 37.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.31 14.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 36' ' ' MET . 96.6 t -137.38 -18.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -85.57 -66.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -56.84 -13.59 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.18 -44.56 21.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.95 -35.7 49.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.717 -0.953 . . . . 1.0 110.717 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.674 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -169.58 -135.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.634 0.254 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.674 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m 56.77 -74.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.193 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -74.65 22.68 1.36 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.521 -1.031 . . . . 1.0 110.521 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -137.1 118.8 15.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 1.0 109.876 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.94 -74.64 0.44 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.4 mm? -98.18 -43.34 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.501 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG21 ' HA2' ' A' ' 45' ' ' GLY . 48.4 t -51.51 -9.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.498 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' LEU . 24.7 mt -96.9 -41.65 8.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.537 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' CG ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -59.11 -11.24 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.642 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -101.43 -18.58 15.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 49' ' ' VAL . 43.0 t -72.7 -18.52 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.498 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -102.78 0.42 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.589 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' CE2' ' A' ' 54' ' ' PHE . 1.6 mmp_? -106.44 -49.71 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.48 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -50.06 -61.42 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.491 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.08 41.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.528 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -89.74 86.02 1.4 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -50.87 -28.52 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 1.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -43.41 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -59.13 -105.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 42.06 90.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.555 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -46.5 135.02 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.581 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 2' ' ' GLU . 1.2 pt-20 -138.17 91.51 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -146.89 101.52 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.16 -50.17 0.75 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 6' ' ' ASP . . . 85.28 163.21 36.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 5' ' ' GLY . 3.2 m-20 -138.33 59.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.328 . . . . 1.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -99.29 100.76 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -138.27 50.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -139.22 42.81 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -54.4 137.03 43.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -57.41 174.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.39 119.44 1.68 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.06 46.3 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 1.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -91.0 74.87 6.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.633 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 17' ' ' SER . 3.9 m120 -156.87 -75.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.579 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' NE2' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -59.34 -2.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.576 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -88.83 122.8 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.619 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 55.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t 41.73 -139.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.459 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' THR . 19.3 mm-40 -95.15 3.29 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.392 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD2' ' C ' ' A' ' 20' ' ' GLU . 45.4 p90 38.9 23.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.95 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 20' ' ' GLU . 18.6 m -104.11 -22.5 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -101.14 -4.41 27.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 21' ' ' TYR . 5.1 p-90 -50.07 -34.86 23.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -8.26 9.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.099 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -86.28 23.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 1.0 110.574 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER 79.61 40.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.751 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ALA . . . 44.52 20.39 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' SER . . . 48.6 99.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 1.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.26 -81.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -80.31 -33.72 0.77 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.551 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.9 Cg_exo -58.35 -35.49 98.64 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.852 1.701 . . . . 1.0 112.037 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.41 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.587 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -86.63 -42.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.463 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.73 -31.87 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.554 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mtt -88.82 -35.61 16.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.616 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 41' ' ' LEU . 17.4 tp -55.64 -17.26 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.1 19.48 7.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.271 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 17.3 t80 -124.44 5.97 8.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -138.92 -30.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.786 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 37' ' ' LEU . 1.6 mm? -41.34 -37.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.43 60.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -133.83 -60.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 1.0 110.732 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' OG1' ' A' ' 43' ' ' THR . 0.0 OUTLIER -78.77 -27.0 44.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.543 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . 135.94 -43.5 1.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 5.3 p30 40.87 91.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 1.0 110.669 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.06 -59.85 0.1 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -154.69 16.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 1.0 110.505 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -84.51 -30.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.515 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 50' ' ' LEU . 5.4 mt -74.74 -5.83 45.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.469 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.458 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -73.43 -45.52 53.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.456 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -64.62 -40.33 95.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.524 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.93 -36.4 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 39.9 t80 -78.98 -8.03 58.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -85.42 -63.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.523 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 5.5 pttp -51.58 -40.03 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 9.0 mttm -75.44 69.27 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.11 -122.05 0.05 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -98.93 -75.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 1.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -57.31 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 20.3 m-70 -101.43 160.49 14.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.609 ' ND1' ' N ' ' A' ' 63' ' ' HIS . 14.0 p80 41.38 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.609 ' N ' ' ND1' ' A' ' 62' ' ' HIS . 8.1 t-160 -44.56 100.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.2 p80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.582 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -62.36 73.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 1' ' ' MET . 22.2 tt0 -95.48 67.82 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.524 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.5 -40.41 1.16 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 42.3 -111.72 0.36 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 t70 43.56 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 1.0 110.597 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -85.83 135.78 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.572 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -154.96 47.36 0.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.597 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 11' ' ' TYR . 7.1 t-20 -142.26 43.62 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -58.57 80.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.54 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -58.03 165.22 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.75 -127.55 1.73 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -167.74 41.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 1.0 110.513 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.2 OUTLIER 42.38 40.8 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.623 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.625 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 55.9 m-20 -147.54 -82.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.625 ' NE2' ' H ' ' A' ' 15' ' ' ASN . 3.4 pm0 27.46 47.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.861 0.725 . . . . 1.0 111.681 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -41.86 151.93 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.43 156.31 16.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 21' ' ' TYR . 7.3 m -158.21 149.49 21.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.509 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' A' ' 22' ' ' THR . 4.4 tt0 75.99 -24.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 19' ' ' CYS . 4.1 t80 -76.47 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -154.94 20.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.612 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.31 21.46 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.55 -95.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.724 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.61 35.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.806 0.336 . . . . 1.0 110.695 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -80.92 4.06 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.578 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 t -136.56 -70.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.19 26.5 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.73 37.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.712 0.292 . . . . 1.0 110.469 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.48 -27.98 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.37 -33.5 0.53 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.679 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.2 Cg_exo -57.28 -30.18 86.62 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.977 1.785 . . . . 1.0 111.956 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.627 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -66.12 -37.12 84.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 34' ' ' ILE . 8.4 mt -84.87 -5.09 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.512 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.446 ' C ' ' H ' ' A' ' 37' ' ' LEU . 5.0 t80 -88.05 -56.77 3.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.553 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.602 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -72.08 10.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.457 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.1 mm? -104.67 6.66 34.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.893 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 t -136.55 -21.6 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.619 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -73.49 -39.39 64.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.57 -49.77 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.35 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.28 -50.99 20.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.42 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -72.55 -6.91 67.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.7 HG22 ' N ' ' A' ' 44' ' ' THR . 31.7 m -138.68 -122.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.7 ' N ' HG22 ' A' ' 43' ' ' THR . 11.6 m 60.09 -75.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.639 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.62 57.18 0.49 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.679 -0.968 . . . . 1.0 110.679 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -153.2 120.55 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 1.0 110.343 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.66 -16.24 1.92 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 46' ' ' ASN . 40.6 tp -98.57 -42.64 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 1.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' HA2' ' A' ' 45' ' ' GLY . 40.5 t -52.17 -30.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.39 -44.97 23.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.94 -35.93 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.553 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.565 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.9 m -67.78 -48.99 64.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.586 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -63.34 -34.54 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 51.9 t80 -78.7 -8.67 58.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.57 -51.24 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.657 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -41.54 -51.62 3.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -77.36 42.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.609 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.57 77.72 1.89 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -74.63 -51.4 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.48 126.48 27.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -77.03 111.64 12.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -53.63 88.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 25.1 t-80 -55.71 160.07 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 68.2 t60 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.623 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.66 49.24 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -139.5 72.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.529 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.52 33.48 4.16 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 -142.25 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.24 96.65 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.299 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -154.49 43.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.595 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 15.1 m-20 -148.72 52.67 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.569 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 8.5 p30 44.0 35.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.1 0.476 . . . . 1.0 110.513 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -54.24 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.71 156.41 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.533 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.89 -62.57 0.05 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 72.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 1.0 110.515 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -137.01 52.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.591 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLN . 5.8 m-20 -135.99 -83.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ASN . 1.4 pt20 21.88 49.7 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.028 0.83 . . . . 1.0 112.081 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' ASN . 3.0 m -84.8 80.04 9.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.625 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 17' ' ' SER . 11.5 tt0 43.07 94.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.524 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.7 62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -172.98 -32.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -65.76 3.46 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.562 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 20' ' ' GLU . 4.7 m -88.41 -39.72 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.502 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -78.39 1.45 21.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.478 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -58.77 -147.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.633 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.04 41.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.453 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -66.78 -60.25 2.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.508 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.67 -17.81 5.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.21 -24.59 2.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.45 75.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 1.0 110.537 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.15 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -85.09 -34.16 0.51 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.605 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.8 Cg_exo -57.26 -16.69 23.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.861 1.707 . . . . 1.0 111.959 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.48 -30.0 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -82.16 -17.52 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.73 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.1 mtt -64.32 -36.77 85.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.75 ' O ' HD22 ' A' ' 41' ' ' LEU . 2.3 mm? -67.36 6.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.7 t -134.24 -3.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.462 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.69 -58.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.567 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.7 OUTLIER -65.85 -32.36 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.614 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 37' ' ' LEU . 6.2 mp -51.3 -46.25 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.18 11.88 55.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 44' ' ' THR . 2.6 m -138.36 -140.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.315 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.688 ' H ' HG22 ' A' ' 43' ' ' THR . 84.2 m 56.45 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.616 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -149.47 40.1 0.89 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 5.4 p30 -60.49 75.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 1.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -170.36 -33.77 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -140.94 -2.84 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 1.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG12 ' A' ' 49' ' ' VAL . 73.4 t -85.82 -8.39 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.641 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -96.3 0.73 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.567 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.556 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.0 -21.83 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.449 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.421 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -86.47 -20.5 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.488 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.24 -42.58 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -80.84 -10.84 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.615 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -95.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.53 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' NZ ' ' CB ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.512 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -91.87 40.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.29 -108.33 2.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -57.43 -29.09 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 1.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -49.64 101.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -75.68 168.0 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.617 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -57.41 108.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.85 116.06 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.501 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.02 -0.991 . . . . 1.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mtm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 43.39 59.05 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -154.09 97.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.555 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.84 -56.41 0.62 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.41 106.62 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.57 153.36 39.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.807 0.337 . . . . 1.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -67.56 146.87 53.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -141.9 53.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -114.04 38.67 2.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.37 118.9 8.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.07 161.05 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.582 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 166.37 109.71 0.22 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.72 68.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -57.52 82.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.613 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' ALA . 27.7 t-20 -151.26 -68.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.594 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.63 HE21 ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -76.51 12.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.527 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.6 t -86.16 67.58 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.569 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -99.32 105.93 17.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.08 176.59 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 54.64 15.84 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -92.84 -3.15 55.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.0 m -98.3 -42.24 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' TRP . 34.0 m-20 -108.95 26.63 10.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.552 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.54 -102.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.629 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 74.32 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 1.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.34 -3.46 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.598 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.18 1.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -101.82 24.87 29.95 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -148.83 16.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 1.0 110.643 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.9 -55.49 29.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -95.81 -41.48 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.972 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -56.34 -10.29 4.59 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 112.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -79.28 -32.85 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.599 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mt -92.49 -19.04 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.8 -37.17 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 mtt -81.77 -41.04 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -51.27 -32.87 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -85.1 -21.23 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 43' ' ' THR . 69.0 t80 -77.58 -62.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.82 0.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.2 mt -86.17 -18.62 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.07 12.83 4.42 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.671 HG21 ' CE1' ' A' ' 39' ' ' PHE . 43.6 p -136.34 -140.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 1.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 ' HG1' ' H ' ' A' ' 45' ' ' GLY . 1.1 p 52.05 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -129.03 -54.01 0.11 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.3 p30 41.11 29.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 1.0 110.511 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . -144.93 77.33 0.27 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tp 56.67 4.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 1.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 51' ' ' TRP . 2.1 t -81.31 -58.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 50' ' ' LEU . 2.1 pp -59.08 -1.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.5 -34.14 25.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.715 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -76.05 -26.99 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.571 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 77.6 t -71.35 -74.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.22 -22.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -80.31 -66.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.38 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -45.42 -49.84 12.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -80.98 48.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.414 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -40.08 -29.23 0.19 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 60' ' ' HIS . 4.0 m80 -68.9 -50.4 49.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.743 0.306 . . . . 1.0 110.489 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 59' ' ' HIS . 31.3 t60 50.84 103.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -128.65 151.33 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.418 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.37 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -76.12 -173.12 2.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.6 t60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.587 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.01 60.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -139.19 80.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.605 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.42 -54.41 0.43 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.45 167.96 0.17 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -150.98 126.45 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 1.0 110.547 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -57.27 142.92 41.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.619 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.31 48.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -139.01 45.87 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.92 171.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -57.79 166.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.68 8.03 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.97 60.22 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 1.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -138.26 43.05 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.548 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 17' ' ' SER . 45.2 m-80 -154.7 42.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.584 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.751 HE21 ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.24 24.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.542 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 15' ' ' ASN . 25.1 t -138.62 -173.97 3.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.548 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -71.95 64.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -137.76 -174.05 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.664 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 22' ' ' THR . 1.1 tt0 60.33 3.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 19' ' ' CYS . 2.2 p90 -71.65 13.21 0.28 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.525 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' GLU . 35.0 m -100.27 -31.88 11.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.642 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -90.74 24.6 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.548 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -44.12 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.734 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.8 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 1.0 110.553 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.75 -60.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 29' ' ' ALA . 4.1 m -176.51 -32.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 30' ' ' LEU . . . -49.8 -10.2 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -74.09 22.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.106 -0.238 . . . . 1.0 110.714 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 28' ' ' GLY . 13.1 mt -108.48 54.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.87 -41.47 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.087 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.8 Cg_exo -67.53 -40.22 10.82 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.366 2.044 . . . . 1.0 112.076 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.648 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -58.78 -15.42 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.609 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -100.44 -26.11 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.464 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -46.53 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.587 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtt -71.52 -34.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 mm? -59.6 -20.56 56.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.46 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.9 t -103.95 -17.47 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -78.59 -67.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.89 -36.12 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -52.43 -36.06 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.459 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.74 1.41 58.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 44' ' ' THR . 2.7 m -135.31 -142.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 1.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.738 ' H ' HG22 ' A' ' 43' ' ' THR . 0.3 OUTLIER 68.05 -10.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.733 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 135.5 33.83 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -136.66 85.76 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.326 . . . . 1.0 110.573 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.63 -22.62 0.15 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -138.6 -18.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 1.0 110.496 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -81.86 -23.92 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.77 5.74 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.605 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -92.66 -30.77 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.473 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -83.08 -29.3 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.28 -44.64 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.43 -19.63 62.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.593 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -58.26 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -50.58 -51.83 44.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.578 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.1 mptp? -71.89 58.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.87 35.35 0.88 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.511 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 22.3 m-70 -100.72 -52.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 1.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 59' ' ' HIS . 33.1 p-80 41.36 26.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.629 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -61.01 -1.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.569 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 60' ' ' HIS . 2.7 t-80 43.68 -156.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.62 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -49.66 144.28 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.94 -1.029 . . . . 1.0 110.591 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 56.33 51.45 11.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.566 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -80.82 42.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.22 -50.53 0.63 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.82 -139.96 10.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -139.62 92.34 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 1.0 110.627 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.53 119.41 31.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.555 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -156.67 48.42 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -138.3 46.5 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -49.91 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -57.79 173.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.6 76.77 1.18 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.16 50.69 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.626 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -137.92 41.7 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.593 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -152.46 16.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -72.89 58.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.5 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' CYS . 3.5 t -89.75 -169.83 2.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.593 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -45.63 92.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.511 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.1 t -154.74 16.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.6 -21.23 14.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.53 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 19.1 t80 -96.25 -12.99 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 22' ' ' THR . 99.1 m -102.35 -14.2 17.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -7.26 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.4 p-90 -42.96 -50.13 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.555 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.1 mtpt -147.3 108.63 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -148.09 -76.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.65 33.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.602 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 101.47 -14.01 58.08 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 74.96 3.39 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 1.0 110.609 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.9 mt -86.96 -44.54 11.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -92.26 -40.76 0.36 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.878 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.3 Cg_exo -58.36 -30.45 91.24 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.268 1.979 . . . . 1.0 112.095 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.63 77.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.651 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -85.25 -37.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -39.13 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.534 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.42 -42.76 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 mp -56.07 -5.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.7 t -118.14 -5.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.553 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' O ' ' OG1' ' A' ' 43' ' ' THR . 8.2 t80 -104.57 -6.59 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -132.41 -12.97 3.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.483 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -47.88 -47.03 32.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.08 31.51 0.35 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.5 p -124.17 -144.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.362 -0.236 . . . . 1.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.4 p 37.84 -89.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -139.82 -45.29 0.07 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.729 -0.949 . . . . 1.0 110.729 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.9 p30 41.25 47.76 3.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.836 0.35 . . . . 1.0 110.413 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -168.34 76.54 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 51' ' ' TRP . 0.5 OUTLIER 55.55 4.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.664 0.269 . . . . 1.0 110.771 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 47' ' ' GLY . 2.7 t -81.84 -16.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 1.0 110.408 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.2 -31.6 16.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.538 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.07 -11.63 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.711 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.3 t -90.34 -26.56 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 55' ' ' ARG . 51.3 t -73.34 -76.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -39.65 -23.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.771 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.8 tpt180 -79.82 -61.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.517 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -48.8 -53.17 20.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 1.4 mtmp? -77.17 40.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.68 74.33 2.53 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -100.04 -70.82 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 1.0 110.52 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.7 t60 42.49 85.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 11.9 m-70 -78.18 96.18 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -58.19 94.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -57.94 149.05 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.583 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.536 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 41.75 84.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -138.28 92.2 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.588 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.49 -31.07 1.82 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.91 104.04 0.65 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -140.8 135.29 31.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.363 . . . . 1.0 110.52 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.8 -171.59 3.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 38.2 t0 -139.04 49.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.514 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 9' ' ' ASN . 2.7 p-10 43.65 36.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.1 t80 43.01 91.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -153.48 153.49 32.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.61 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.58 64.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -138.09 64.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 1.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -100.47 43.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -100.1 -34.57 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.615 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 4.9 pm0 -50.61 -37.05 38.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.561 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.2 t 41.81 52.82 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 -174.53 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.594 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 62.51 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.564 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 65.15 -1.17 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.568 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 14.7 t80 -100.52 -23.91 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.564 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' THR . 98.4 m -99.56 0.1 41.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.44 25.13 2.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.622 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.2 -101.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.635 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -50.14 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.732 0.301 . . . . 1.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 t 54.84 8.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.616 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER 164.14 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.613 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -16.31 33.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.28 -2.94 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.72 71.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.57 -41.32 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.067 179.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.76 -22.92 49.03 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.88 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.64 -26.88 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -37.63 82.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 8.6 mtt -75.93 -32.98 59.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.09 11.66 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.2 t -137.89 -5.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 67.7 t80 -99.13 -64.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.64 -16.66 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.25 -58.22 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 37.56 1.8 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 44' ' ' THR . 2.9 t -60.01 -37.62 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 1.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 43' ' ' THR . 73.2 p -95.44 -71.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -156.39 -66.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' GLY . 4.9 m-80 41.91 93.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 1.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.26 14.16 52.02 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -141.5 -40.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 1.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' HA3' ' A' ' 45' ' ' GLY . 47.5 t -55.23 -24.74 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -84.44 -35.88 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -49.16 -29.0 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.576 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 m -74.63 -53.41 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.29 -54.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -50.29 -16.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.57 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 3.7 mtp180 -101.34 -40.7 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.85 41.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.93 32.31 5.44 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -83.41 -70.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.788 0.327 . . . . 1.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 42.43 52.99 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -67.68 -77.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 42.99 78.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -57.92 123.71 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 64' ' ' HIS . 2.8 t-160 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -94.49 83.43 4.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.88 69.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.64 -34.4 0.89 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 96.84 0.25 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.3 150.78 24.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 1.0 110.602 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -86.4 167.18 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.24 43.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -148.35 46.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.42 140.77 49.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -53.23 113.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.614 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.53 88.9 0.66 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.54 46.6 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 1.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.85 48.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLN . 32.7 m-80 -135.17 -85.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ASN . 8.6 pt20 27.61 48.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.853 0.72 . . . . 1.0 111.781 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 114.72 26.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.618 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.21 113.68 27.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.593 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 m -84.48 43.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 22' ' ' THR . 12.9 tt0 -152.02 -37.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.54 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -69.49 9.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -142.04 19.02 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.506 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.35 6.23 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -53.31 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.595 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.68 57.92 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 1.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.89 -78.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.639 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.7 m 52.64 37.09 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 10.54 60.01 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.92 94.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.48 -80.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -81.83 -33.61 0.66 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.2 Cg_exo -58.05 -28.04 81.87 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.895 1.73 . . . . 1.0 112.046 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -24.48 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -87.6 -27.85 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -63.27 -51.63 65.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.8 mtt -61.46 -42.85 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.671 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 41' ' ' LEU . 2.4 mm? -56.87 -4.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.1 t -132.7 7.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.467 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -112.22 1.82 16.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.17 -18.84 2.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.675 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' ' 37' ' ' LEU . 7.0 mp -56.07 -57.55 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.594 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.93 46.39 0.8 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 t -81.72 -30.12 32.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.335 . . . . 1.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -90.81 -83.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.46 18.34 0.37 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -72.64 69.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 1.0 110.511 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.66 -56.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.883 . . . . 1.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -92.42 -26.11 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 1.0 110.461 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.92 -22.42 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.507 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.3 mt -89.17 -25.38 21.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.615 ' HB3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.22 -11.99 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.222 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.3 m -89.14 -53.49 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.404 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.9 t -44.33 -61.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.594 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -61.96 3.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.248 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -112.34 -59.4 2.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.32 . . . . 1.0 110.95 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -43.63 -41.96 4.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.829 -179.567 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -90.06 39.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.383 . . . . 1.0 110.32 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -42.57 -87.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.63 -71.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 1.0 110.595 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 41.84 92.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -63.89 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -163.72 144.28 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -164.09 142.35 7.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.605 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.52 86.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.67 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.05 58.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.83 -64.86 0.23 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.35 157.78 25.96 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -155.15 70.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 1.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.34 137.51 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.616 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.51 44.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -140.54 42.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.587 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.5 148.51 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.599 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -48.98 114.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.595 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 68.16 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.11 50.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 1.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -81.39 41.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' C ' ' H ' ' A' ' 17' ' ' SER . 22.6 p30 -96.14 -18.82 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.607 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 6.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 15' ' ' ASN . 12.9 t -56.71 107.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.533 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -158.18 108.91 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.0 p -173.39 158.87 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.558 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.16 4.44 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.484 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 12.2 t80 -95.09 -17.86 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.599 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 m -98.82 -23.19 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.57 -7.4 58.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' O ' ' CG ' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -59.99 114.83 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' TRP . 1.9 pttt 21.08 49.11 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.391 -0.822 . . . . 1.0 112.312 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -88.54 -18.37 28.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.2 m 163.45 -22.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 136.9 -2.21 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.22 34.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.642 0.258 . . . . 1.0 110.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.51 -27.95 3.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -82.33 -33.85 0.64 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.493 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.8 Cg_exo -58.36 -23.96 65.84 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.931 1.754 . . . . 1.0 111.919 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.504 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.684 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -88.0 -27.54 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.479 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -63.79 -30.62 71.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.3 mtt -78.61 -37.06 43.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.08 -28.91 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.2 3.22 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -104.2 0.4 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.626 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 1.9 pp -142.13 -20.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.659 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.81 -32.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.88 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -98.53 -45.78 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 1.0 110.616 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 43' ' ' THR . 4.5 p -99.61 -96.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.55 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -104.02 -79.44 1.33 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER 48.85 99.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.615 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.32 -20.39 41.02 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 tp -100.59 -42.67 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 1.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.518 HG23 ' HA3' ' A' ' 45' ' ' GLY . 72.5 t -53.7 -23.64 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.95 -34.02 33.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -54.64 -33.22 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.614 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.59 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m -72.28 -38.51 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.594 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.89 -45.31 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.52 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -29.6 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.597 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -47.33 -52.47 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -75.12 57.48 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.69 -136.92 7.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.12 -82.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 1.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 61' ' ' HIS . 16.7 m-70 -137.24 13.25 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.732 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 60' ' ' HIS . 1.6 t-80 47.66 99.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.743 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -157.7 85.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.611 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 176.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.514 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -138.42 102.35 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -136.04 49.85 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.65 37.98 0.14 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -86.82 63.55 4.06 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 9.8 t0 44.76 95.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 1.0 110.634 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 64.0 t80 -74.1 50.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 t70 49.49 40.83 19.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -133.86 48.86 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CZ ' ' OD2' ' A' ' 6' ' ' ASP . 11.3 m-85 -51.16 131.35 27.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -58.11 176.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.51 87.97 0.51 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.1 73.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -99.94 45.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' C ' ' N ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -138.76 6.81 2.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.529 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.68 -15.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.608 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.57 163.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.583 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 19' ' ' CYS . 11.8 tt0 41.79 64.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.561 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 18' ' ' GLU . 13.4 m -48.34 -99.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.4 mm-40 -136.17 22.74 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.645 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 43.0 p90 39.21 23.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.081 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.4 m -98.79 0.06 43.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.551 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.01 28.9 2.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.534 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.33 -101.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.633 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -89.82 57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 1.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 p -101.01 -10.38 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.585 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -51.32 -17.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.579 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.84 -5.13 2.77 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.97 63.36 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 1.0 110.544 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -134.68 57.92 1.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.3 -41.4 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.077 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.6 Cg_exo -65.62 -34.49 41.47 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.338 2.026 . . . . 1.0 112.073 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.764 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -67.16 -7.03 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.12 -17.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.07 -46.39 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -76.7 -36.25 57.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.459 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 33' ' ' ALA . 3.5 mp -49.73 -17.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.543 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' MET . 65.7 t -100.66 -21.52 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -84.48 -53.58 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.52 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.9 pp -70.39 -8.69 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -42.15 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.69 -53.4 5.44 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -148.55 -136.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 1.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.575 ' N ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER 71.46 -40.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -158.36 52.61 0.39 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 40' ' ' LEU . 9.4 m-80 -154.47 117.74 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.02 -26.14 14.22 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.29 -24.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 1.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.0 t -82.43 -57.09 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -4.25 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.488 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -78.65 -34.5 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.568 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -67.68 -22.75 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.57 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.76 -33.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -79.02 -10.75 59.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.574 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -92.35 -53.77 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.629 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -48.55 -54.57 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.92 53.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.46 -83.99 1.77 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 22.0 m80 -92.63 -50.76 5.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.714 0.293 . . . . 1.0 110.521 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 50.3 p-80 39.55 94.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.864 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.633 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 7.3 p80 -71.32 -169.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -45.94 123.57 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -57.6 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 m170 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.581 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.67 68.84 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -166.51 98.71 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.543 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.31 31.68 4.88 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.45 144.5 36.92 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -138.62 134.68 34.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.569 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -81.97 179.01 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -148.65 50.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.632 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -140.39 43.89 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.7 -45.97 84.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.25 172.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.33 -80.36 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 47.18 55.9 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.89 71.14 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.78 19.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.635 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -64.71 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.593 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' GLN . 7.5 t 43.47 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 21' ' ' TYR . 5.4 tt0 -91.92 122.95 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -169.48 116.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 8.9 tt0 75.41 9.79 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.61 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -80.01 8.64 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.607 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.8 m -94.14 -44.77 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 24' ' ' TRP . 50.0 m-20 -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.501 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.45 -100.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.674 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -54.72 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 1.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 p 48.33 24.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t 59.8 37.96 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.531 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.66 10.05 82.1 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.59 58.96 3.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 1.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.5 -29.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -81.68 -40.29 1.0 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.786 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.4 Cg_exo -58.37 -32.97 97.34 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.265 1.976 . . . . 1.0 111.977 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.91 -26.31 64.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -84.1 -33.14 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.528 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -45.56 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.3 ptp -64.45 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.479 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -42.74 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.46 32.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.616 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.675 ' O ' HG22 ' A' ' 43' ' ' THR . 62.9 t80 -124.72 -44.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.503 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.65 -28.92 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.812 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -89.58 -5.83 56.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.548 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.812 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -103.81 -23.18 8.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 44' ' ' THR . 3.0 t -97.04 -114.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 1.0 110.65 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.683 ' H ' HG23 ' A' ' 43' ' ' THR . 17.4 p -41.5 -90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.631 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 159.84 -21.4 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.919 . . . . 1.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 6.0 p30 41.19 60.97 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 1.0 110.622 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.61 -59.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -144.93 3.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 1.0 110.491 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.92 -31.54 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 52' ' ' THR . 7.9 mt -71.12 -38.23 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -46.22 -20.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.573 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 50' ' ' LEU . 23.2 m -86.78 -60.35 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.3 t -50.23 -45.89 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.593 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -34.98 71.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -80.17 -39.74 28.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.587 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -45.09 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 55' ' ' ARG . 5.2 mmtt -93.21 40.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.05 -57.71 2.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.06 -82.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 61' ' ' HIS . 55.0 t60 -137.33 168.51 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.544 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -74.21 115.0 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 56.4 p-80 -43.69 -44.22 6.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.574 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.459 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -45.26 166.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.572 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HD1' ' C ' ' A' ' 64' ' ' HIS . 2.1 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 24.6 mp0 -138.02 82.19 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.76 42.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.569 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.65 -47.8 0.57 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.03 102.8 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -143.61 87.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -143.15 46.79 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 49.05 39.99 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -138.49 44.49 2.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -58.03 94.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.582 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -53.75 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.565 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.576 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . 149.77 109.77 0.5 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -71.03 72.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.309 . . . . 1.0 110.566 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 2.4 t70 -50.83 87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.691 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' ALA . 85.9 m-20 -152.14 -36.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.689 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 69.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -101.7 41.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.534 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.3 97.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 142.28 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.596 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 65.74 8.0 4.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.81 -20.82 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m -94.07 -30.33 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p30 -97.87 29.28 3.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.623 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.51 -112.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.107 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 24.6 ttpt -59.38 -126.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m 59.6 33.53 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 1.0 110.476 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.01 29.73 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.555 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.85 8.71 75.74 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.61 54.96 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.72 0.295 . . . . 1.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.64 -27.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -83.27 -40.33 0.8 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.722 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.2 Cg_exo -57.65 -34.08 97.6 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.252 1.968 . . . . 1.0 111.996 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.64 68.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.2 mt -82.03 -23.16 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.394 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -34.34 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.488 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -75.3 -41.42 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.552 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.794 ' O ' HD22 ' A' ' 41' ' ' LEU . 44.1 mt -57.55 -3.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.625 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 38' ' ' VAL . 98.7 t -120.91 -2.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.342 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -111.75 10.11 20.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.804 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.55 -33.34 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 37' ' ' LEU . 4.2 mp -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.17 0.06 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 44' ' ' THR . 1.3 t -102.99 -13.0 17.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.866 0.365 . . . . 1.0 110.513 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.49 HG23 HG23 ' A' ' 43' ' ' THR . 1.3 p -137.09 -41.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.498 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . 160.9 -59.28 0.3 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER 50.47 101.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 1.0 110.582 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.73 -59.04 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -140.56 -10.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 49' ' ' VAL . 56.8 t -71.26 -12.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.86 -30.03 15.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -66.54 -8.28 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.625 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 49' ' ' VAL . 1.5 t -97.69 -25.46 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.61 -48.89 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.602 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -14.9 63.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -81.86 -69.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.598 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -83.49 55.07 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.444 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.75 66.45 1.95 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -71.48 -60.56 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.768 0.318 . . . . 1.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 54.0 t-80 41.79 41.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.7 124.57 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.549 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -51.99 -38.5 56.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -42.85 157.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.5 m80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.527 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 44.43 71.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.545 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.7 -158.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.536 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.16 13.18 37.2 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.427 -1.069 . . . . 1.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . 39.58 -151.36 0.08 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.072 -0.811 . . . . 1.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 5' ' ' GLY . 22.6 t0 47.68 99.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 45.7 -158.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.623 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 59.21 54.87 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' TYR . 50.0 t30 56.97 51.29 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -40.86 -26.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.643 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 m-85 -41.95 128.03 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.34 52.71 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 47.51 44.79 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 1.0 110.665 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.29 71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.509 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' ALA . 18.7 m120 -129.0 -7.3 4.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.57 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -77.74 21.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 15' ' ' ASN . 2.6 t -53.88 -172.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.596 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 42.3 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 t -171.67 45.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.25 -36.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 68.8 t80 -72.27 59.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 m -168.46 -33.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -17.62 50.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -59.85 144.06 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.591 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.33 56.06 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.1 p -159.18 27.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 29' ' ' ALA . 1.2 m 64.64 -0.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -63.55 2.31 1.83 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -135.04 62.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 1.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -80.72 -56.25 4.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.586 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.54 -40.39 0.43 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.774 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.4 Cg_exo -58.55 -14.56 21.56 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.257 1.971 . . . . 1.0 112.048 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.76 -32.86 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -85.33 -28.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.501 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -38.41 83.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.6 mtt -72.61 -27.4 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.604 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -72.46 14.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 45.6 t -136.54 -13.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.47 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -54.57 -35.48 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.02 -36.41 60.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.46 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -102.54 6.0 52.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 44' ' ' THR . 3.0 m -137.94 -140.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 1.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER 62.14 -0.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.67 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 142.46 -6.7 2.21 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m-80 -107.81 78.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' HD11 ' A' ' 50' ' ' LEU . . . 170.16 -32.92 0.16 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.65 -18.98 10.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.717 0.294 . . . . 1.0 110.723 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 95.4 t -70.55 -25.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.55 0.29 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.454 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.559 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -87.94 -33.48 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.149 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -69.75 -13.0 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.407 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 -43.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.574 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -78.19 -13.37 59.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CH2' ' A' ' 51' ' ' TRP . 15.3 tpp85 -89.92 -61.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -47.44 -27.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 59' ' ' HIS . 79.5 mttt -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.488 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.14 -79.9 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -136.02 -82.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.518 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.9 t-80 -141.16 -147.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.613 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 12.0 m-70 -99.29 -76.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -51.36 -49.64 61.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -51.65 96.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.433 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.509 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 7.7 ptt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 37.3 mm-40 54.25 106.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -94.97 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.582 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.74 36.03 3.35 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.61 137.95 33.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.81 113.64 4.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 1.0 110.548 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' HE2' ' HH ' ' A' ' 10' ' ' TYR . 58.4 t80 41.98 63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -153.21 54.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' TYR . 97.5 m-20 -137.88 45.19 2.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' ASN . 64.6 m-85 -50.89 -176.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.534 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -54.32 155.15 3.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.19 -128.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -147.15 54.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 1.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -51.56 90.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.67 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 3.3 m120 -161.7 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.694 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.3 -1.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.518 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -43.14 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.506 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' SER . 19.7 tt0 44.27 95.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.497 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.7 OUTLIER -165.16 168.62 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 22' ' ' THR . 3.6 tt0 65.02 -1.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 19' ' ' CYS . 5.7 p90 -57.6 -6.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.2 m -93.42 -38.69 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.5 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 4.1 t70 -101.77 28.26 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.55 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.18 -101.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.605 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.65 87.41 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.0 -73.26 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.611 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -15.3 27.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.08 15.74 20.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.21 84.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.604 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.07 42.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.41 -41.34 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.126 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.8 Cg_exo -66.46 -24.44 49.39 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.355 2.036 . . . . 1.0 112.079 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -24.31 61.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 62.9 mt -99.92 -4.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.76 -32.35 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.489 ' C ' ' H ' ' A' ' 38' ' ' VAL . 3.0 mmt -93.5 -21.79 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.72 14.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.232 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.489 ' H ' ' C ' ' A' ' 36' ' ' MET . 58.3 t -129.69 -24.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.0 m-85 -81.93 -68.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.9 pp -49.09 -12.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.5 mm? -66.0 -38.47 88.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.655 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.12 31.12 0.97 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.151 -0.779 . . . . 1.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -179.22 134.93 0.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.836 0.35 . . . . 1.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER 81.15 3.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.806 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.619 ' H ' ' ND2' ' A' ' 46' ' ' ASN . . . 158.79 78.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.9 15.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 1.0 110.615 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.21 -61.4 0.37 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.26 -3.49 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 1.0 110.364 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 HG21 ' H ' ' A' ' 44' ' ' THR . 9.2 t -90.38 -61.16 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.547 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.6 3.93 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.536 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.441 ' H ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -90.79 -29.63 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.524 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -78.35 -24.04 46.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.84 -42.2 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -70.69 -21.56 62.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.665 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -72.51 -56.8 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -31.91 47.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -88.67 45.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.79 32.34 6.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -64.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 1.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -55.54 149.64 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -42.61 139.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 m80 -56.33 -26.96 54.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.561 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 2.2 m-70 -57.94 79.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 50.21 75.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -137.47 -160.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.99 28.78 8.53 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.625 -0.99 . . . . 1.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.93 144.13 15.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -151.21 173.34 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.553 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -145.93 114.27 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -154.82 59.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 11' ' ' TYR . 20.1 t-20 -152.19 42.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.547 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -7.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.601 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 9' ' ' ASN . 46.0 m-85 -51.64 120.91 5.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.592 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.98 52.54 0.15 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.56 56.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 1.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.76 63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -151.41 36.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.4 66.31 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 t -100.4 101.61 12.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.506 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -140.01 141.02 36.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 p -99.5 22.98 9.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 22' ' ' THR . 2.3 tt0 -138.05 -41.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -50.37 -12.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.548 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.501 ' OG1' ' CE1' ' A' ' 21' ' ' TYR . 20.0 m -101.87 -31.0 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.578 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 1.6 t70 -99.76 22.52 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.33 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.72 82.58 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 1.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.95 -79.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t 54.11 33.13 17.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.58 3.82 79.41 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.0 46.63 26.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.307 . . . . 1.0 110.614 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mt -135.98 52.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.468 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.2 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.058 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.5 Cg_exo -65.79 -41.11 15.05 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.34 2.026 . . . . 1.0 111.963 -179.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.25 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.589 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.08 -33.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -42.62 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -72.37 -35.91 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.51 -29.5 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.98 35.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -132.44 -38.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.1 pp -68.38 -19.91 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.468 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.37 -40.15 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.32 -39.31 92.49 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 44' ' ' THR . 8.8 t -137.36 -140.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 1.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.541 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 m 69.47 -64.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.51 56.96 0.47 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 5.0 p30 -89.08 -127.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 1.0 110.628 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -39.85 -28.35 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -58.82 -56.99 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.38 -20.32 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.427 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.12 -17.68 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.584 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -69.95 -31.89 69.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.584 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -74.7 -28.06 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.547 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.83 -54.13 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -62.15 -9.21 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.584 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' NE ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -83.75 -64.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -57.4 -36.97 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 59' ' ' HIS . 15.1 mtpp -88.49 41.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.91 81.79 1.13 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 57' ' ' LYS . 12.4 m-70 -69.8 -41.66 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 1.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -55.58 -36.38 66.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.559 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -55.51 113.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 64' ' ' HIS . 1.4 m80 -54.15 158.79 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.62 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.599 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 45.8 50.03 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -95.14 42.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.534 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.62 39.33 2.39 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.28 177.22 53.7 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.45 146.24 48.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 1.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 90.2 m-85 -81.28 56.49 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.661 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.9 p-10 43.94 36.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.476 . . . . 1.0 110.454 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' TYR . 16.0 m120 -148.71 51.87 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.99 40.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.1 p90 -57.39 140.92 48.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.9 30.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -87.29 76.79 9.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 1.0 110.595 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.21 44.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.588 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -154.56 53.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -90.78 60.24 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.585 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 11.9 t -57.04 177.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.491 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 17' ' ' SER . 2.7 tt0 -86.03 52.78 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.582 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER 49.7 26.97 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.59 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 54.86 6.85 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 21' ' ' TYR . 12.6 t80 -75.3 -10.4 59.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OE1' ' A' ' 18' ' ' GLU . 92.9 m -85.92 -33.72 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 25' ' ' LYS . 9.3 t0 -74.02 -19.34 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.529 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.14 -15.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 62.4 mttm -148.13 -101.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.507 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t 46.68 21.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.552 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 29' ' ' ALA . 2.2 m -160.73 29.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.89 0.05 3.73 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 25' ' ' LYS . . . 56.34 109.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 1.0 110.566 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -83.69 -81.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -81.37 -33.63 0.68 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.627 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.0 Cg_exo -58.51 -17.4 34.22 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.881 1.721 . . . . 1.0 112.019 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.55 77.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.616 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -84.74 -18.25 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.68 -35.55 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.4 mtt -84.43 -34.9 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.75 -3.61 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 38' ' ' VAL . 81.1 t -113.25 -8.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.611 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -22.84 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.738 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.02 -0.86 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.747 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD23 ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -94.61 -8.71 37.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.429 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.841 ' N ' HD23 ' A' ' 41' ' ' LEU . . . -101.58 -34.69 4.33 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' GLY . 9.7 t -104.26 -140.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 1.0 110.429 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' N ' ' A' ' 45' ' ' GLY . 31.0 m 39.56 -89.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.792 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 44' ' ' THR . . . -153.79 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 m-80 41.34 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 1.0 110.642 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.596 ' H ' HD11 ' A' ' 50' ' ' LEU . . . 139.32 -54.04 0.68 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.83 -10.59 19.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 1.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.474 ' C ' ' N ' ' A' ' 51' ' ' TRP . 42.3 t -81.45 -64.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -48.74 -13.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -70.95 -38.69 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.552 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.605 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -68.94 -25.42 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.7 t -73.94 -58.28 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.89 -10.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -91.59 -59.2 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.535 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -54.79 -51.29 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 3.4 mptt -77.09 49.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.4 -93.61 1.99 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.76 -78.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 1.0 110.568 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.06 167.04 22.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.658 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 125.76 38.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.496 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -57.95 100.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.608 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 3.5 t-160 -163.81 84.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 63' ' ' HIS . 12.6 m80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.586 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.05 119.43 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.29 105.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.627 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -31.99 1.45 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.71 -121.97 21.1 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 7' ' ' PHE . 9.2 t0 -152.71 159.71 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.722 0.296 . . . . 1.0 110.612 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 83.3 m-85 -143.83 70.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.588 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.11 58.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' TYR . 63.7 t30 -144.47 46.45 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -57.94 79.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' ASN . 15.0 p90 -57.93 129.58 42.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.96 -121.03 3.25 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 52.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 1.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.55 43.32 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.538 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -140.43 13.71 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.559 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -3.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 15' ' ' ASN . 5.6 t -94.24 91.12 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 2.2 mt-10 -153.79 171.5 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.589 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER 171.0 -25.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.606 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 22' ' ' THR . 14.4 pt-20 -174.52 -32.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.632 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.38 -10.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.647 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 20' ' ' GLU . 98.2 m -99.53 -35.96 9.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.19 31.57 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.571 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -52.24 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.662 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 30.75 4.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.944 0.402 . . . . 1.0 110.479 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.84 -61.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.507 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 52.63 38.11 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.338 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.69 3.49 89.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.62 -0.992 . . . . 1.0 110.62 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 40.96 62.78 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 1.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.33 44.24 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.512 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.578 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 170.71 -41.22 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.098 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 12.9 Cg_exo -67.56 -24.45 42.0 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.327 2.018 . . . . 1.0 112.038 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -37.05 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.78 7.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -50.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.8 mmt -76.57 -36.47 57.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.61 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.11 -22.75 6.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.295 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.74 3.97 8.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.93 4.81 25.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -148.67 -16.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.52 31.33 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.88 -55.22 2.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.822 0.344 . . . . 1.0 110.605 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 p -72.31 -102.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -140.77 -38.2 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 5.6 p30 41.23 65.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 1.0 110.603 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.42 -42.71 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -145.05 7.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 1.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 52' ' ' THR . 98.9 t -91.98 -28.81 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.65 -7.45 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -77.88 -33.34 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -69.35 -26.79 64.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG12 ' HE3' ' A' ' 57' ' ' LYS . 89.8 t -68.07 -54.6 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.38 -26.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.545 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' C ' ' N ' ' A' ' 57' ' ' LYS . 2.8 ttp180 -82.08 -44.68 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.563 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.614 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' N ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -92.06 39.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.517 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.87 90.0 0.85 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -56.56 -15.38 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -44.37 102.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.474 ' ND1' ' O ' ' A' ' 62' ' ' HIS . 8.6 p80 -88.5 168.27 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.554 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 9.2 p80 -57.95 140.08 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.617 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.48 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.022 -0.989 . . . . 1.0 110.532 -179.987 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -93.54 44.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -138.8 82.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -31.01 0.59 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -53.46 -54.52 29.59 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 48.55 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 1.0 110.658 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 2.4 m-85 -138.41 96.51 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.5 56.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -137.98 42.4 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.661 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -45.99 142.82 2.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -55.9 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.69 -31.21 9.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.4 62.3 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -61.25 77.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 17' ' ' SER . 31.3 m-80 -136.22 -33.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.642 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 68.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 15' ' ' ASN . 1.7 t -100.48 97.74 8.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.621 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -140.34 97.12 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.545 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' TYR . 4.2 p -99.12 -175.46 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 62.39 -0.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 19' ' ' CYS . 14.9 t80 -137.23 -34.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.7 m -85.2 -25.84 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.567 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' TRP . 3.8 t70 -91.73 25.03 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.613 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.16 -102.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.627 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 27' ' ' SER . 2.7 mptp? -51.38 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.742 0.306 . . . . 1.0 110.6 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t 55.41 8.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -101.46 -79.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.571 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.37 28.84 0.07 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 50.5 98.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.682 0.277 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.76 41.02 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.85 -41.41 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.035 179.78 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.4 Cg_exo -66.88 -12.89 37.82 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.315 2.01 . . . . 1.0 112.011 -179.598 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.31 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.511 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -89.41 -26.98 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.553 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -38.83 84.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.5 mmt -79.49 -46.71 16.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.717 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' MET . 88.1 t -97.16 -32.41 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' MET . 14.1 t80 -58.23 -64.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.742 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.97 -45.64 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.476 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.3 mm? -63.58 2.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.592 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 40' ' ' LEU . . . -134.82 7.23 4.5 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 38.5 p -140.01 -38.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 1.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 46' ' ' ASN . 24.6 p -102.94 -55.15 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.75 -0.55 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -104.05 -8.0 19.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 1.0 110.602 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.02 -43.99 1.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -74.97 -62.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 1.0 110.646 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.04 -19.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -91.16 -23.94 20.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.771 -179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -62.85 -31.3 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.585 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.9 t -68.88 -10.64 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 55' ' ' ARG . 24.1 t -84.35 -50.17 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -66.48 1.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' VAL . 4.8 mmp_? -95.19 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -55.36 -36.82 66.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -88.38 41.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.44 74.82 1.87 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -40.99 65.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 120.41 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.556 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 6.4 p80 -76.6 62.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -57.23 140.26 50.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.51 139.37 38.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.56 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.96 -1.019 . . . . 1.0 110.533 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -138.45 102.76 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.88 42.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.543 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.73 -52.82 0.57 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 57.47 173.17 0.27 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.07 -175.86 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 1.0 110.631 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -142.22 107.23 4.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -153.91 48.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.589 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.18 49.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.57 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -41.82 -67.16 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.94 165.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -94.78 -120.74 3.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.49 69.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.718 0.295 . . . . 1.0 110.555 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' GLY . 25.3 t0 -137.48 47.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.6 m-80 -139.22 -83.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.518 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 5.7 pm0 27.28 47.89 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.879 0.737 . . . . 1.0 111.705 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.5 p -41.1 106.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.623 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.48 94.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.75 44.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.55 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 22' ' ' THR . 37.2 mt-10 -142.86 -37.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.556 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' O ' ' CE2' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -55.42 -10.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.502 -179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 20' ' ' GLU . 2.4 m -101.18 -15.17 17.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.458 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' TRP . 1.7 m-20 -129.56 20.27 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.401 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.35 -101.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.688 179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -73.95 72.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -162.1 -52.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.565 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 p -179.13 29.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.85 22.09 19.58 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.57 12.06 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.691 0.282 . . . . 1.0 110.654 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -121.73 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.439 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.89 -40.36 7.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.745 179.805 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.75 -39.81 84.37 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.29 1.993 . . . . 1.0 112.093 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.61 69.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' ILE . 7.6 mt -91.22 -9.86 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -81.69 -38.98 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.6 mtp -79.52 -34.17 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.58 -16.52 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 38' ' ' VAL . 57.2 t -102.39 -13.63 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.3 t80 -94.93 -64.5 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.95 -19.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 -47.26 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.341 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -83.35 9.5 61.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.751 -0.939 . . . . 1.0 110.751 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 44' ' ' THR . 22.2 m -142.41 -127.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 1.0 110.659 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 43' ' ' THR . 91.0 m 56.54 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.613 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -143.37 56.37 0.56 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.474 -1.05 . . . . 1.0 110.474 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -145.36 118.63 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.045 0.45 . . . . 1.0 110.231 -179.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.8 -55.6 1.73 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.8 -48.94 69.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 1.0 110.57 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.4 t -43.06 -53.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.4 mp -71.36 -57.37 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -44.19 -30.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.49 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 54' ' ' PHE . 5.4 m -80.03 -44.17 20.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 49' ' ' VAL . 59.0 t -59.8 -2.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -117.16 -7.78 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.352 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -90.83 -24.88 20.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.35 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -86.7 -18.37 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.461 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -87.94 38.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.257 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -103.04 85.6 0.51 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -67.28 -19.58 65.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 1.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.0 96.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.13 140.69 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -163.53 136.98 5.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.46 146.33 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.552 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' OXT' ' ND1' ' A' ' 64' ' ' HIS . 1.5 t-80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.85 111.24 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -166.58 98.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.02 31.91 4.57 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -44.09 50.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -100.99 -174.63 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 1.0 110.562 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.42 159.8 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -141.2 43.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' TYR . 2.6 t30 49.18 39.98 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -45.47 94.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.482 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' ASN . 33.6 p90 -57.45 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -59.14 0.22 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.32 73.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 1.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -137.26 56.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLN . 55.3 m-20 -145.08 -81.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' ASN . 5.4 pm0 27.46 47.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.812 0.695 . . . . 1.0 111.734 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 t -146.68 125.25 12.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.533 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -137.13 123.38 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.13 109.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 22' ' ' THR . 25.2 tt0 70.85 6.71 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -60.96 -1.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.583 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 20' ' ' GLU . 21.8 m -93.33 -38.13 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 24' ' ' TRP . 26.4 t70 -99.41 28.95 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -51.64 -103.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 -179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 81.74 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 1.0 110.502 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.23 -50.48 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.628 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 p -156.33 17.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.68 11.85 8.7 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.06 15.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mt -109.19 58.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.42 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.178 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.77 -39.98 18.61 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.367 2.045 . . . . 1.0 112.092 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.8 -26.8 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -86.41 -43.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.493 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.83 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.491 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -49.65 56.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.455 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 41' ' ' LEU . 45.2 tp -49.44 -25.26 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.234 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.46 -19.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 41' ' ' LEU . 17.9 t80 -79.56 -66.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.19 -0.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -85.86 -25.21 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.566 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.94 -25.14 10.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.0 t -140.46 -140.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' THR . 58.7 m 56.93 -79.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.51 18.09 48.78 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.53 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -132.22 103.47 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.68 -20.37 2.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp -139.33 -18.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 1.0 110.589 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.35 -21.84 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.41 4.44 50.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.567 179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -90.67 -22.48 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.451 179.872 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 m -95.04 -27.66 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.79 -18.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.537 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 3.0 t80 -101.44 -13.03 18.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -41.86 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -75.54 -38.98 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -86.95 41.05 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.059 0.457 . . . . 1.0 110.235 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.82 34.95 3.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -99.52 -33.57 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.528 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -50.34 88.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' HIS . 58.1 m-70 -146.3 121.88 10.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.534 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -47.06 130.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.593 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 5.7 p80 -57.25 129.01 39.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.545 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.542 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.13 82.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.68 41.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.66 42.68 1.95 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.43 -57.57 6.43 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 44.33 59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 1.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CD2' ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER 41.73 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.609 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -108.0 36.41 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.531 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 20.7 t30 49.48 41.38 20.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 4.9 m-85 -162.75 14.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.635 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -59.01 156.04 12.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.548 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.38 -129.72 2.72 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.986 -0.845 . . . . 1.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -173.14 54.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.568 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -61.03 76.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' ALA . 20.3 m120 -153.35 34.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.6 pt20 -99.58 64.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.27 132.76 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -100.04 95.31 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.5 p -101.65 52.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -174.49 -122.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.469 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 45.5 t80 39.98 23.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.753 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' GLU . 63.1 m -166.32 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.662 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.4 m-20 -113.16 21.29 15.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.481 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -42.35 -92.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.685 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -5.6 53.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -41.9 44.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.553 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -162.37 23.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.527 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . -99.17 -16.5 29.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.73 -2.2 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 1.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.23 73.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.556 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.29 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.11 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.7 Cg_exo -65.75 -2.14 6.02 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.33 2.02 . . . . 1.0 112.014 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -92.28 -26.15 18.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.445 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 34' ' ' ILE . 72.8 mt -94.59 -7.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.424 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -52.35 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.6 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.464 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.7 -0.32 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.594 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -93.95 6.96 46.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.28 -23.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -71.35 -17.34 62.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.531 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.73 -35.34 4.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.8 mm? -84.54 28.2 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.426 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.32 -33.78 0.26 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -79.15 -102.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 1.0 110.553 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 43' ' ' THR . 72.0 p -44.43 -86.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . 178.37 -68.25 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 45' ' ' GLY . 5.2 m-80 52.49 103.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 1.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.72 -39.0 2.88 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -46.49 8.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.1 t -47.26 -26.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.56 -45.34 22.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -42.18 -37.46 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.582 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.611 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -66.37 -55.09 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.02 -18.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 23.52 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.5 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.71 -31.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HZ2' ' HB3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -83.85 -29.14 27.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -92.28 41.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.515 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.99 -34.65 29.77 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -142.43 -62.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 1.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 42.53 40.41 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -97.62 -75.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -56.99 170.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -164.22 123.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.578 -179.901 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.82 127.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.614 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.38 53.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.44 -58.18 0.61 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 41.89 82.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -154.99 64.96 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 1.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -139.24 72.17 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -146.46 48.6 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 4.7 t-20 -145.43 46.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 5.1 m-85 -163.2 11.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.625 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.68 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.44 -122.51 2.48 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 43.54 64.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 1.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 42.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -100.24 6.75 44.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -71.92 64.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.533 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -53.08 118.93 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.644 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.61 125.53 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 p -87.0 172.32 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 67.74 6.1 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -98.4 6.13 47.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.569 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -88.21 -32.97 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.631 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -72.41 -14.35 61.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.591 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -58.29 -153.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.54 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 40.7 mtmt -57.61 79.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.7 t -104.4 33.21 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER 79.43 29.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.45 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.16 34.72 5.53 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 41.56 68.89 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.721 0.296 . . . . 1.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.97 -33.48 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mm -82.26 -33.93 0.64 Allowed Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.435 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.5 Cg_exo -57.92 -35.21 98.91 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.974 1.783 . . . . 1.0 111.885 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.54 -27.99 65.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.528 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 34' ' ' ILE . 63.0 mt -82.48 -10.61 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -56.7 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.462 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 20.2 mtt -63.5 -30.95 71.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.462 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.39 -2.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' VAL . 65.1 t -128.77 10.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.475 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 39' ' ' PHE . 55.3 t80 -128.13 23.16 6.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -138.77 -12.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.608 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -85.38 -26.13 26.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.034 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -103.87 -8.01 40.38 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.671 -0.972 . . . . 1.0 110.671 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 43' ' ' THR . 9.0 p -134.82 88.9 2.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 45' ' ' GLY . 3.2 m -177.42 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.15 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -136.29 14.21 4.01 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 p30 -63.22 70.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -155.21 -38.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.861 -0.895 . . . . 1.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -138.62 -16.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.35 -25.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.4 mt -82.06 -33.87 29.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.256 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -48.05 -25.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.215 179.8 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -76.64 -44.42 34.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -82.56 -63.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.45 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -40.38 -34.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -39.26 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.715 -179.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -48.08 -69.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.46 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.577 ' CD ' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -65.92 69.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 1.0 110.1 179.653 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -94.42 33.84 5.06 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -101.53 -21.22 14.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 1.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.62 158.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.605 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -62.04 163.42 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.532 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 1.4 m-70 -57.89 -171.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -164.26 125.51 2.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.596 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.548 179.953 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -149.6 94.53 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -170.97 101.66 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.0 30.8 4.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.07 111.19 3.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.07 143.42 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 1.0 110.617 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -103.7 -161.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.486 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 t70 52.16 41.15 29.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 42.6 t30 -139.36 42.64 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 4.9 m-85 -163.32 147.08 10.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.556 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.9 -177.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.647 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.6 132.15 2.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -96.41 62.02 2.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.0 110.532 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -100.67 43.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -96.61 -34.61 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 1.8 pt20 -51.33 -23.24 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.575 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLU . 26.0 t 41.79 42.29 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.553 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.1 tp10 41.69 -165.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER 70.47 148.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.569 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 69.22 2.89 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -135.98 -35.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.633 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.9 m -89.8 -24.77 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.555 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' TRP . 50.7 t0 -90.05 3.6 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.431 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -59.35 -145.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.791 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.01 80.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.469 . . . . 1.0 110.626 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -139.53 17.49 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.555 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.27 31.48 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.658 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.19 89.56 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.39 44.34 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 1.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -136.06 57.03 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.455 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 168.99 -41.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.051 179.797 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.1 Cg_exo -65.1 -47.71 4.38 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.436 2.091 . . . . 1.0 112.045 -179.594 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.45 -27.51 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -82.97 -36.7 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -68.48 -48.95 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.431 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -25.19 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.542 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 tp -64.27 -33.85 76.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.48 4.98 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.523 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' LEU . 74.8 t80 -93.6 -64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.577 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.24 -1.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.4 mt -102.08 0.68 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.65 1.94 3.31 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 t -102.11 -19.42 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -91.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.556 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.55 -65.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.31 103.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 1.0 110.612 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.02 -40.11 1.09 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -147.85 -17.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 1.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 49' ' ' VAL . 64.6 t -71.01 -15.67 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -94.35 -2.46 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.577 179.838 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -84.9 -25.38 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.365 179.853 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 t -77.48 -17.72 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' NZ ' ' A' ' 57' ' ' LYS . 85.8 t -81.59 -56.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.65 -43.31 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 13.7 ttm180 -64.97 -47.47 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -53.34 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.477 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' NZ ' ' CG1' ' A' ' 53' ' ' VAL . 11.2 mttt -79.69 41.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.525 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.53 -31.11 73.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -55.68 16.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 1.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 t60 43.26 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.585 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 44.03 39.88 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -47.2 156.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -54.56 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.38 111.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.558 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 59.34 96.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.13 -36.39 1.5 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.98 150.81 2.77 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -152.04 171.63 17.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 1.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 51.9 t80 42.68 89.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -139.33 47.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' TYR . 20.0 t30 48.91 39.62 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -3.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.484 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -58.16 179.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . -168.29 -127.61 0.93 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.96 62.88 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 1.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.98 67.85 9.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -152.0 40.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.621 HE21 ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -84.76 57.55 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.573 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.66 125.46 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -134.74 -172.44 3.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.3 tt0 -106.57 9.14 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.446 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' O ' ' CZ2' ' A' ' 24' ' ' TRP . 41.1 p90 37.54 26.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.8 m -128.73 -33.49 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.562 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 25' ' ' LYS . 7.3 p-10 -107.22 22.96 15.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.798 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.86 -0.92 0.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.766 179.791 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 23' ' ' ASP . 1.1 pttt -173.06 39.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 1.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.24 -79.41 0.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.599 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m 53.53 37.92 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.49 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.8 4.86 67.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 42.6 56.99 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 1.0 110.493 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mt -131.17 -27.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.484 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -85.75 -40.32 0.6 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.763 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.9 Cg_exo -59.92 -48.29 12.94 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.287 1.991 . . . . 1.0 111.939 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.66 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -54.72 -17.74 3.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.5 mt -100.11 -20.6 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -46.08 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 72.6 mtm -73.41 -21.83 60.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.556 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -73.43 15.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.216 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.1 t -132.78 -26.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.313 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 41' ' ' LEU . 5.5 m-85 -75.48 -68.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.506 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 43' ' ' THR . 1.9 pp -57.49 -4.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 tp -80.88 -58.22 3.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.686 179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.34 -34.37 8.83 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.099 -0.801 . . . . 1.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 44' ' ' THR . 9.0 t -164.58 -136.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 1.0 110.686 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.637 ' N ' HG23 ' A' ' 43' ' ' THR . 1.4 m 63.52 -69.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.717 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -103.46 31.71 8.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -151.21 116.39 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -24.55 10.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -101.73 -16.6 16.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 1.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.13 -40.12 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.81 -7.06 57.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.476 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -76.47 -47.52 22.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.6 t -52.46 -25.68 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.5 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' ARG . 84.7 t -67.37 -87.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -41.59 -21.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.668 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.9 tpm_? -77.68 -73.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.439 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' GLY . 13.6 pttp -55.77 -22.47 24.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.739 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -71.68 41.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.502 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -153.55 61.36 0.38 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' HIS . 4.4 m170 -99.0 -64.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 1.0 110.605 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.573 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 8.1 t60 43.83 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 16.1 m-70 -142.39 167.13 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.569 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.75 171.41 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -56.74 169.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.552 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 50.4 t60 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.014 -0.994 . . . . 1.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -158.29 93.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 6.3 mp0 -93.14 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 -60.74 0.45 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . 51.87 -157.54 3.28 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 44.71 -170.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' N ' ' OD2' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -55.21 178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.581 179.921 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.87 50.8 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.3 t30 49.07 39.99 16.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -45.62 -87.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -53.9 -170.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.21 101.33 0.67 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.79 52.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 1.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -99.63 51.78 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -150.15 45.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -72.69 57.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.615 179.935 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -88.81 -167.66 1.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.564 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 42.73 63.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 p -128.67 46.56 2.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' THR . 35.4 mt-10 -155.41 -110.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.007 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.6 p90 38.4 23.88 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 120.976 0.417 . . . . 1.0 110.878 179.693 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.3 m -145.26 -36.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.572 -179.721 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' TRP . 7.2 t0 -105.65 18.02 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.39 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.636 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 18.8 21.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.839 0.352 . . . . 1.0 110.604 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -85.26 -15.3 43.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.499 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.7 m 54.44 35.99 24.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.444 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.39 0.32 86.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.779 -0.929 . . . . 1.0 110.779 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.23 61.45 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 1.0 110.663 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.31 43.71 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.5 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.49 -41.39 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -66.86 -19.04 53.0 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.359 2.04 . . . . 1.0 112.027 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.5 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.4 mp -86.73 -30.85 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.481 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -46.96 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -48.04 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -51.57 -15.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 88.1 t -103.6 -25.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.627 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.479 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -75.95 -66.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.618 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.73 -0.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.644 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.23 -45.09 81.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.593 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.13 45.03 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -101.71 -30.78 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -137.36 -87.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.68 -71.81 0.02 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 43.67 41.79 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 1.0 110.563 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.09 -49.58 0.06 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp -134.12 0.13 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.893 0.378 . . . . 1.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.78 -24.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.9 mm? -90.95 -13.89 32.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.52 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.481 -179.93 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.507 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.5 t -72.76 -25.74 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.46 -73.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -43.36 -36.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -57.36 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 58' ' ' GLY . 8.0 mmmt -44.4 -39.6 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -73.02 42.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.537 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -59.98 -109.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -141.72 -80.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 1.0 110.57 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.58 156.34 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.618 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 2.7 p80 -46.66 141.73 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -48.34 133.43 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.579 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -55.85 168.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.561 179.981 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tpt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 1.9 mt-10 68.84 132.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.213 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 11.9 tt0 79.54 113.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.579 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 -32.98 1.41 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.84 98.59 1.58 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.38 113.57 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -93.06 153.75 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -153.99 53.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -138.69 42.43 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -42.23 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 11.2 p90 -44.35 148.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.03 132.75 3.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.37 50.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 1.0 110.574 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.38 69.42 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' SER . 97.9 m-20 -132.2 -86.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.43 25.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.945 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 15' ' ' ASN . 5.5 t -138.92 138.9 37.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.572 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.91 60.69 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 21' ' ' TYR . 1.6 p -147.99 138.0 22.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 54.59 8.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.557 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.472 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -71.93 -4.31 27.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.503 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.9 m -99.7 -32.9 10.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -89.95 22.09 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.571 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.78 -100.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.632 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 62.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 1.0 110.557 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 27' ' ' SER . 23.6 t -137.81 33.91 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.522 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.67 9.73 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.636 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.48 -31.5 9.37 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.19 74.47 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 1.0 110.594 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.35 -34.68 7.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.601 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -84.76 -40.22 0.67 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.831 -179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.1 Cg_exo -59.56 -51.01 6.87 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.272 1.982 . . . . 1.0 112.01 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.25 -30.99 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.703 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -80.24 -31.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.59 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.292 179.742 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -32.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 1.0 109.959 179.439 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -55.97 20.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.384 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.04 13.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.622 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -107.98 -46.0 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.722 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.47 -37.27 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.709 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.1 pp -79.31 -25.05 42.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.458 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.27 -28.64 55.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.604 HG23 ' N ' ' A' ' 44' ' ' THR . 9.6 t -171.9 -133.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 1.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.604 ' N ' HG23 ' A' ' 43' ' ' THR . 0.8 OUTLIER 71.31 -40.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -146.71 23.07 1.65 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -141.0 88.31 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.58 -47.86 0.41 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.64 -33.49 10.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 1.0 110.491 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.6 t -56.87 -15.23 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -92.78 -23.67 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CH2' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -70.49 -31.03 67.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.577 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.528 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 3.6 t -81.38 -30.01 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.9 t -64.12 -65.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.19 -15.92 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.554 ' NH1' ' CH2' ' A' ' 51' ' ' TRP . 4.6 ttm180 -86.28 -54.68 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -42.21 -43.43 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.544 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -81.56 41.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.23 31.32 8.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -90.02 -53.01 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 1.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 44.22 -157.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.618 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 160.65 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -49.79 160.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -55.24 136.22 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.557 -179.975 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -135.5 -150.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 54.31 72.35 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.43 -30.72 0.2 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.1 111.77 3.44 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -82.14 107.29 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.324 . . . . 1.0 110.518 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -155.64 104.84 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -154.56 42.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -144.85 43.95 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CD2' ' N ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -56.69 -57.11 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 31.6 p90 -57.58 179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.68 107.35 0.27 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 49.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 1.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -101.35 42.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -150.87 53.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.68 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.33 13.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 m -73.16 86.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.33 58.96 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.01 11.66 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.602 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.48 -39.19 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.5 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -74.39 -7.1 51.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -101.94 -24.25 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 58.0 t0 -97.37 27.74 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.75 -102.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.616 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.98 51.66 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 1.0 110.569 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -103.12 -76.94 0.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.6 m -171.97 26.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.579 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.98 22.18 72.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 43.51 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 110.534 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -165.24 35.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.435 -179.925 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 172.35 -40.85 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.373 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.179 179.579 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.1 Cg_exo -67.01 -31.43 37.23 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.342 2.028 . . . . 1.0 111.952 -179.588 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.41 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.382 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.44 -25.49 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.276 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -46.05 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.406 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.63 -34.74 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 41' ' ' LEU . 43.6 tp -53.65 -24.45 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 41' ' ' LEU . 58.0 t -103.01 -3.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.551 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' HG21 ' A' ' 43' ' ' THR . 57.4 t80 -87.28 3.9 44.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -121.94 -22.32 5.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 38' ' ' VAL . 4.9 mp -41.25 -34.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.651 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.96 56.64 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 44' ' ' THR . 63.6 p -102.0 -102.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 43' ' ' THR . 59.7 p -41.66 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 44' ' ' THR . . . -136.3 -71.57 0.06 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 42.07 89.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.81 -62.83 0.19 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -138.12 -1.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 1.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t -75.57 -37.28 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -68.52 -42.97 77.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 2.9 m -67.21 -44.63 79.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.17 -44.87 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -36.99 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.645 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -73.52 -46.48 47.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -41.47 -62.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.516 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.87 42.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.597 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -52.0 -41.11 51.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.11 -52.65 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 1.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' O ' ' NE2' ' A' ' 63' ' ' HIS . 5.3 t-80 43.93 25.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -2.1 42.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -56.17 -53.7 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.569 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 2.1 p80 -57.59 176.73 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.575 ' ND1' ' CE1' ' A' ' 63' ' ' HIS . 5.4 m170 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.618 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.44 77.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -100.25 58.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.607 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.21 -49.63 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.63 -130.86 10.36 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.81 147.09 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 1.0 110.534 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -96.39 117.36 30.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -147.09 43.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.609 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -153.4 58.05 0.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.27 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.05 135.91 57.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.39 82.26 0.14 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.3 53.69 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 1.0 110.581 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -90.44 61.94 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLN . 4.5 m-20 -134.71 -85.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ASN . 8.7 pt20 27.67 47.74 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.786 179.554 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.31 146.69 35.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.558 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.62 90.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' C ' ' H ' ' A' ' 21' ' ' TYR . 13.6 p -164.79 -165.19 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.85 7.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.55 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 19' ' ' CYS . 3.0 p90 -81.51 2.93 26.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.512 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.6 m -100.81 -37.66 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TRP . 2.7 p30 -99.39 23.13 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -49.91 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.654 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -76.83 -95.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 110.667 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.529 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER 47.24 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.94 27.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 81.54 -5.97 66.75 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 64.78 109.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.713 0.292 . . . . 1.0 110.635 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.34 38.88 2.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.467 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.63 -41.43 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.454 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.985 179.835 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.7 Cg_exo -66.2 -12.27 34.83 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.379 2.053 . . . . 1.0 111.931 -179.738 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.31 -32.51 49.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 7.0 mt -80.26 -23.56 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.348 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.71 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.415 179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -64.27 -44.86 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.368 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.78 -10.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.425 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.4 t -108.64 -13.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.617 -179.89 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' CD2' ' OG1' ' A' ' 44' ' ' THR . 4.5 t80 -93.53 -35.73 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -94.74 -18.8 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.784 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -53.99 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.618 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.7 50.53 0.22 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -136.23 -55.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.54 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 45' ' ' GLY . 87.1 m -86.49 -111.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 44' ' ' THR . . . -73.39 -64.19 2.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.0 OUTLIER 58.39 117.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.773 0.32 . . . . 1.0 110.599 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.61 -24.72 2.18 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -100.42 -42.15 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 1.0 110.546 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG23 ' HA3' ' A' ' 45' ' ' GLY . 41.8 t -60.2 -18.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.508 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.66 -19.85 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.518 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.26 -32.67 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.547 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.45 -39.84 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.513 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.17 -23.76 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.06 4.0 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.17 -52.61 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.586 -179.943 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -66.28 -39.81 89.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.74 55.91 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.62 77.03 0.94 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -148.18 -80.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 1.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -53.69 164.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.595 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' HIS . 58.9 m-70 -100.96 83.82 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.583 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -57.16 84.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -49.32 173.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 1.0 110.543 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.433 -0.581 . . . . 1.0 109.433 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.86 89.49 4.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.601 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.45 76.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.44 -47.32 0.6 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.26 164.21 13.12 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -147.45 127.39 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 1.0 110.554 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -41.91 157.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.59 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -140.61 52.49 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' A' ' 11' ' ' TYR . 5.9 t-20 -141.9 44.23 1.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -71.04 40.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.661 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.0 m-85 -57.6 129.63 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.62 77.67 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.62 56.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 1.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -138.76 46.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.573 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -140.05 15.17 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' C ' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -75.85 67.15 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -73.22 41.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 16' ' ' GLN . 13.9 tt0 -159.76 144.05 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 18' ' ' GLU . 56.5 m -156.35 74.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 54.77 12.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.548 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -96.95 -8.83 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.549 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.7 m -96.5 -28.42 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -80.58 -19.33 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.481 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ3' ' CE ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.41 150.71 11.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.702 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' CE ' ' CZ3' ' A' ' 24' ' ' TRP . 44.9 mtmt 40.76 47.67 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 -179.794 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m 168.32 76.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.458 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -156.54 -79.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.5 30.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -143.38 26.48 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.044 -0.263 . . . . 1.0 110.52 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -121.91 -24.86 5.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -84.71 -33.95 0.52 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.617 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -57.35 -23.21 53.65 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.007 1.805 . . . . 1.0 111.999 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -39.27 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' ILE . 13.4 mt -85.44 2.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.66 -32.98 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.646 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 17.0 mtt -86.06 -25.31 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.77 13.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 47.4 t -134.33 -13.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.904 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -57.26 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -2.74 22.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.883 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -96.1 -39.54 9.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.91 179.807 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.15 20.63 49.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 44' ' ' THR . 7.2 t -88.42 -142.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.622 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.631 HG23 HG23 ' A' ' 43' ' ' THR . 63.7 p 36.57 -87.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.221 179.566 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -147.01 -45.17 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 4.9 p30 40.84 82.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.762 0.315 . . . . 1.0 110.638 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.88 -25.55 0.19 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -150.73 -29.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 1.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.35 -21.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 mt -84.68 -43.63 14.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.25 -39.41 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.594 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 9.0 m -70.9 -43.03 69.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.8 -31.97 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 63.8 t80 -85.85 -5.49 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.26 -45.65 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.947 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 13.1 mmtt -55.0 -60.56 3.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.96 71.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -97.21 -136.75 9.23 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -135.87 -83.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 1.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -164.05 178.58 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.671 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 3.0 p80 -89.96 150.12 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.58 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.634 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 7.6 t-80 -57.6 -164.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.634 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 14.9 t-80 41.59 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.621 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -135.49 -150.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 1.0 110.448 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 52.67 70.44 0.57 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.531 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 -33.92 0.26 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.15 -171.8 35.85 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' PHE . 1.2 p-10 -88.99 127.47 35.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 1.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' ASP . 0.8 OUTLIER 43.48 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -158.05 41.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.6 t-20 49.06 40.3 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.527 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' ASN . 5.5 t80 44.81 -170.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.584 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -153.07 163.36 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.57 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.9 -37.13 1.91 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.43 66.08 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 1.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.65 42.23 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -156.08 32.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -25.4 12.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 m -57.98 93.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.38 140.87 27.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.613 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' C ' ' H ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -171.6 143.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.52 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.93 -39.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.73 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 19' ' ' CYS . 3.8 t80 -59.35 -22.14 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.606 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.86 4.59 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' TRP . 27.3 t0 -139.95 20.83 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.604 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.98 -102.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.755 179.961 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -58.42 -117.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 110.561 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 78.39 21.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.517 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.91 -4.78 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.597 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.53 74.31 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.35 -1.64 27.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 1.0 110.496 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.14 72.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.558 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.48 -41.29 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.121 179.788 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.5 Cg_exo -66.45 -22.6 51.77 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 122.419 2.079 . . . . 1.0 112.038 -179.629 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.85 -18.38 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.553 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -92.85 -22.27 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -38.22 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.511 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -83.77 -41.99 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.558 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 41' ' ' LEU . 40.6 tp -45.03 -26.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.454 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.79 -27.67 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' A' ' 41' ' ' LEU . 24.5 t80 -74.41 -71.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -52.75 -9.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.525 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -72.32 -30.63 64.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.21 36.04 1.42 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.443 ' HG1' ' HD2' ' A' ' 39' ' ' PHE . 70.3 p -136.5 -75.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 43' ' ' THR . 65.3 p -51.4 -102.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' HG23 ' A' ' 49' ' ' VAL . . . -81.95 -70.39 1.35 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.8 p30 41.32 95.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 1.0 110.789 179.891 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.63 -23.96 3.37 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 46' ' ' ASN . 2.3 tp -86.23 -8.69 57.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.328 . . . . 1.0 110.501 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' HA3' ' A' ' 45' ' ' GLY . 53.0 t -92.46 -21.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.24 -30.72 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -63.0 -28.06 69.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.574 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.516 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.7 t -80.87 -27.25 36.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.7 -71.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.59 -30.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -55.14 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -41.01 -59.61 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 53.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 60' ' ' HIS . . . -90.58 86.12 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.514 ' NE2' ' OXT' ' A' ' 64' ' ' HIS . 0.2 OUTLIER 48.97 11.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.827 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 58' ' ' GLY . 25.7 t-80 -74.16 -30.05 62.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.653 -179.74 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.616 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -81.29 -120.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.536 -179.92 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.616 ' N ' ' ND1' ' A' ' 61' ' ' HIS . 32.9 p80 -62.24 128.29 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -59.6 164.76 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' OXT' ' NE2' ' A' ' 59' ' ' HIS . 40.8 m170 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.016 -0.992 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' MET . 1.5 pm0 28.58 56.35 0.11 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.792 0.682 . . . . 1.0 111.6 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.94 48.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.547 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.43 -48.34 0.78 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.29 137.32 0.06 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -140.55 100.47 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 1.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 3.0 t80 -153.02 159.65 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.598 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.9 p-10 44.07 37.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.8 p-10 -106.79 35.99 2.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.81 86.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.576 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 40.38 34.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.439 0.637 . . . . 1.0 110.601 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.93 88.77 0.67 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.52 56.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 1.0 110.59 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -137.67 46.88 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.539 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 68.2 m-80 -137.51 -35.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.703 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.75 -1.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.521 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 28.6 t -42.01 122.16 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.566 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.69 -162.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.2 t 65.01 36.93 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -137.56 -43.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -62.08 -4.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.568 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.5 m -102.06 -34.96 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.543 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.42 29.0 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.602 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.46 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.758 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.55 26.02 11.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -120.29 -84.06 0.66 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.257 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.08 22.48 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.416 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.73 6.61 65.49 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.674 -0.971 . . . . 1.0 110.674 -179.678 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 47.39 38.36 7.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -127.59 -28.05 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.324 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -89.1 -41.4 0.44 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 46.1 Cg_exo -54.04 -30.06 57.85 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.057 1.838 . . . . 1.0 111.603 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.87 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.014 179.509 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 34' ' ' ILE . 75.0 mt -98.02 -10.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' ILE . 18.2 t80 -78.59 -42.84 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.546 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.78 -40.56 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.49 -25.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.49 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.98 -19.85 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.454 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' MET . 12.7 t80 -81.24 -59.71 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.99 -7.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.491 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.6 mt -84.16 -19.7 33.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.593 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.55 -26.23 16.0 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' GLY . 29.1 p -105.75 -139.76 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 1.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 45' ' ' GLY . 58.0 p 51.72 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -110.31 -66.56 0.55 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 45' ' ' GLY . 5.1 p30 41.07 94.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 1.0 110.712 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 3.77 57.18 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.604 -0.998 . . . . 1.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -133.81 -23.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG23 ' HA3' ' A' ' 45' ' ' GLY . 79.2 t -92.91 -36.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -94.01 -19.05 21.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.481 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -73.56 -27.21 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.579 179.892 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.493 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 t -75.38 -24.86 57.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.0 t -68.58 -68.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.85 -2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.842 -179.871 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.38 -62.05 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.14 -179.655 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -41.64 -37.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.744 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -92.02 39.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 1.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . -58.17 -44.28 94.93 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 61' ' ' HIS . 60.1 m-70 -101.23 -56.74 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 1.0 110.569 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.557 ' ND1' ' CE1' ' A' ' 61' ' ' HIS . 25.1 t-80 41.5 -92.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' CE1' ' ND1' ' A' ' 60' ' ' HIS . 20.9 m-70 -41.71 139.27 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 64' ' ' HIS . 19.1 m170 -46.11 168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -71.44 41.28 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.574 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 62' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.628 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 7.5 pm0 -137.92 77.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -103.34 -160.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.64 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.66 26.86 13.25 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.43 50.41 3.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -154.74 90.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 1.0 110.538 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -151.83 169.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.575 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 2.8 p-10 44.16 36.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -138.89 42.34 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.568 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' O ' ' A' ' 11' ' ' TYR . 1.5 t80 -164.11 112.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' O ' ' CE2' ' A' ' 10' ' ' TYR . 19.9 p90 -46.23 156.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.522 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.39 -114.71 0.31 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.85 67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.706 0.289 . . . . 1.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.34 40.17 3.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' SER . 3.8 p-10 -107.96 -11.99 15.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.01 65.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.507 -179.896 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' ASN . 5.3 t -93.08 42.66 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CG ' ' CD1' ' A' ' 21' ' ' TYR . 16.4 tt0 -140.54 114.76 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 21' ' ' TYR . 8.2 p -155.12 168.05 28.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 53.3 11.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CD1' ' CG ' ' A' ' 18' ' ' GLU . 1.3 p90 -97.21 -14.56 21.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 22' ' ' THR . 67.6 m -99.83 0.07 40.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.616 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.77 20.71 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -41.22 -88.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.612 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -84.68 -94.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.625 179.837 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 52.95 29.61 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.571 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t 52.49 37.02 21.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.44 11.47 84.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 45.95 48.6 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -134.79 61.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 169.18 -41.24 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.044 179.836 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 17.4 Cg_exo -65.16 -50.55 2.0 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.403 2.069 . . . . 1.0 111.963 -179.649 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.5 -21.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -86.23 -40.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.248 179.852 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -67.17 -55.76 12.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.376 179.8 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -55.55 -19.15 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.417 179.87 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.2 tp -90.52 -31.94 16.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.246 -179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.4 t -95.54 -1.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.598 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -82.08 -23.14 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.605 -179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -108.97 -43.43 4.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.364 179.846 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 41' ' ' LEU . 4.2 mm? -89.27 21.15 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.476 -179.883 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.99 -8.05 3.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -93.15 -98.16 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.774 0.321 . . . . 1.0 110.657 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.507 ' H ' HG23 ' A' ' 43' ' ' THR . 76.9 p -41.06 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.69 -179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -162.8 -73.82 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 42.57 21.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -141.89 -48.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' LEU . 1.4 mt -93.58 -39.91 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 1.0 110.527 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' VAL . 69.7 t -53.32 -10.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' LEU . 33.5 mt -94.6 -26.91 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -19.62 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.621 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -91.02 -22.59 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.52 -58.03 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.31 56.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -76.55 -56.42 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -41.58 -37.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -86.43 41.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.98 -30.99 18.91 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -150.07 -38.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -42.92 120.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -43.5 141.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 3.2 m-70 -163.8 0.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.508 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 14.7 p80 41.68 -164.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.591 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.618 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.553 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 53.21 101.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -166.43 98.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 -31.76 1.23 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.16 -167.03 38.52 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 42.79 69.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 1.0 110.564 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.41 157.14 42.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.587 179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t70 48.92 39.93 15.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 8.1 t30 -148.28 55.46 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 24.2 m-85 -161.88 68.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.509 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -56.71 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.7 61.49 2.03 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.16 49.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.511 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.95 49.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -148.26 47.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -82.24 -21.79 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.614 179.923 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER 44.66 -170.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.62 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' A' ' 17' ' ' SER . 6.3 mp0 -93.61 155.68 17.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 21' ' ' TYR . 7.6 p -175.88 163.27 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 22' ' ' THR . 10.2 mt-10 55.05 6.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' CYS . 13.9 p90 -71.81 13.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 20' ' ' GLU . 3.3 m -91.64 -49.75 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.498 179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' TRP . 5.9 t0 -104.28 28.64 6.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.505 -180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.54 -102.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.76 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -59.73 -117.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.42 179.888 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 m 56.9 49.54 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 79.64 -22.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.14 -179.703 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 30' ' ' LEU . . . -50.93 -10.64 0.45 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.683 -0.967 . . . . 1.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -74.3 25.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.103 -0.239 . . . . 1.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 28' ' ' GLY . 12.8 mt -109.81 -33.39 6.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.532 179.711 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.58 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -66.6 -40.85 35.64 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.751 -179.835 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.1 Cg_exo -58.37 -19.9 45.56 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.172 1.915 . . . . 1.0 111.799 179.857 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.76 -1.88 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.441 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 34' ' ' ILE . 7.0 mt -108.61 -15.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.403 179.471 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -47.57 67.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.801 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 ptp -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.03 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.81 -65.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.396 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.6 t -55.22 -9.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.519 -179.913 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -62.67 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.661 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -68.34 -29.33 68.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.606 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.91 18.39 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.569 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.46 -4.74 3.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.684 HG23 ' N ' ' A' ' 44' ' ' THR . 14.5 t -101.93 -139.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.653 0.263 . . . . 1.0 110.503 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.684 ' N ' HG23 ' A' ' 43' ' ' THR . 1.1 p 52.08 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.72 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -162.72 52.27 0.31 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -138.14 99.27 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 1.0 110.533 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' H ' HD23 ' A' ' 50' ' ' LEU . . . 145.22 -74.44 0.31 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -42.75 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 1.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.9 t -57.44 -26.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 50' ' ' LEU . 3.7 mm? -82.49 -37.75 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.435 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -44.28 -37.53 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 1.8 m -71.56 -28.73 64.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.441 179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -98.76 -9.29 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.701 -179.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.3 t80 -101.01 -23.45 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -92.65 -44.98 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.621 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.69 -60.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -72.95 49.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.99 -129.63 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -137.2 -83.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 1.0 110.612 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -163.23 144.75 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.607 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -68.46 90.61 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.588 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -52.93 123.86 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -46.47 128.12 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.548 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 2.1 mt-10 68.28 129.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.152 -179.818 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER 78.4 104.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.579 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.4 4.96 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.47 -133.28 0.49 Allowed Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.53 153.29 44.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 1.0 110.557 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -164.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -146.72 47.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -155.84 41.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.493 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -54.43 98.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -46.41 156.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.95 63.93 0.05 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 55.34 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 1.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -86.22 57.25 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.03 44.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.07 63.85 8.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.55 129.75 19.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -160.57 112.9 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 p -147.24 152.03 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.538 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.53 -63.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -69.66 -0.35 6.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.513 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.95 17.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.558 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -138.36 4.97 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.88 -166.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.529 179.945 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -30.47 86.64 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.594 0.559 . . . . 1.0 111.72 -179.857 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 24' ' ' TRP . 2.7 t -125.59 -21.61 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.58 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m 61.3 29.14 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 29' ' ' ALA . . . 79.18 1.31 85.42 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' GLY . . . 50.67 102.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 1.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -98.58 -67.15 0.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -82.36 -40.33 0.91 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.807 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 28.0 Cg_exo -58.87 -32.24 96.91 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.307 2.004 . . . . 1.0 112.063 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.43 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.6 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.7 -38.38 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.515 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -33.41 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' VAL . 1.7 mmt -79.97 -49.11 12.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.42 -22.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.774 -179.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.4 t -101.64 -30.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.551 179.85 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' MET . 0.8 OUTLIER -81.58 29.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.718 -179.951 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -168.11 -0.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.792 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -65.0 -27.07 68.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.253 179.865 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.47 35.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -54.95 2.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 45' ' ' GLY . 84.5 m -75.02 -105.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.567 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.674 ' N ' HG22 ' A' ' 44' ' ' THR . . . -114.8 -81.87 1.01 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 60.39 128.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 1.0 110.47 -179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -31.49 0.88 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -99.82 -34.12 10.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 1.0 110.492 179.888 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' HA3' ' A' ' 45' ' ' GLY . 16.3 t -64.41 -50.81 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 50' ' ' LEU . 1.3 mp -61.48 -40.86 96.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.351 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -41.32 -41.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.56 179.943 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 12.5 m -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 56' ' ' LYS . 2.7 t -72.31 -52.14 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.405 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -42.73 -31.52 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -76.5 -33.24 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' VAL . 23.5 mmtm -67.15 -9.53 40.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.795 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 53' ' ' VAL . 4.9 mmtt -95.07 40.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.395 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.39 65.94 1.0 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' HIS . 74.2 m-70 -146.29 -64.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' HIS . 19.4 t-160 41.37 -96.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.643 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 1.5 m-70 37.5 -89.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.157 179.748 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' HIS . 3.4 m-70 -162.57 169.96 19.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.584 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -54.79 94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.595 -179.982 . . . . . . . . 0 0 . 1 stop_ save_