data_1zg2_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 1zg2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 16.1 m120 . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.646 0.26 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -104.87 106.79 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.555 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 7' ' ' ASN . 92.3 m-85 -117.86 112.07 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.281 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG12 ' CZ3' ' A' ' 67' ' ' TRP . 20.7 t -84.52 113.27 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.646 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 40.8 p90 -105.85 136.54 45.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.4 tt -121.19 115.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.849 0.833 . . . . 0.0 109.279 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' ' 50' ' ' PHE . 94.9 mt -111.43 127.06 55.56 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.805 -174.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.7 tt0 -77.65 117.75 19.36 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.23 174.29 11.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.708 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -53.31 -32.24 47.94 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.675 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.91 -19.66 36.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.531 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.86 -4.32 39.16 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.044 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -89.31 124.38 34.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.15 0.5 . . . . 0.0 110.731 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 76.0 t80 -91.77 116.12 28.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.316 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.4 m -103.42 130.2 50.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.741 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' HA2' ' OE2' ' A' ' 68' ' ' GLU . . . -175.69 136.81 3.48 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.506 ' HB3' HG21 ' A' ' 10' ' ' VAL . 4.2 p90 -101.98 137.13 40.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.536 0.668 . . . . 0.0 111.029 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.646 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 13.3 t -100.51 153.08 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 48.1 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 0.0 110.979 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.107 0.48 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.36 -47.01 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.236 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -58.05 -37.84 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.692 0.282 . . . . 0.0 111.728 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.05 -58.53 5.29 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.112 0.482 . . . . 0.0 110.825 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.49 -35.55 67.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.48 -44.94 89.53 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.543 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.16 -42.5 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -67.58 -44.0 79.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.37 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.41 -178.012 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.618 ' HB3' HD13 ' A' ' 13' ' ' LEU . 74.8 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.966 0.412 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.669 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 49.4 ttt180 -92.91 114.11 26.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HA ' HD21 ' A' ' 13' ' ' LEU . 56.3 tp -72.24 116.31 12.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.142 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' HB ' HG23 ' A' ' 12' ' ' ILE . 37.5 t -86.54 -47.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.95 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.11 171.48 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.502 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -140.47 127.98 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -114.03 115.01 26.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.711 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.29 126.01 49.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.658 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 80.7 m-85 -125.43 120.54 24.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.815 0.34 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 10.3 Cg_exo -72.72 -9.26 23.66 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.005 2.47 . . . . 0.0 111.538 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m -97.62 136.05 38.57 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.972 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.38 -57.97 10.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.577 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -64.87 -38.17 90.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.355 -172.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 72.5 mm-40 -62.26 -37.56 85.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.632 0.253 . . . . 0.0 110.813 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.91 79.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.42 -42.77 82.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.178 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HG2' ' HA ' ' A' ' 63' ' ' GLU . 9.3 ptm180 -73.58 -34.12 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.308 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.582 ' CZ3' HG12 ' A' ' 10' ' ' VAL . 5.3 t90 -63.57 -53.58 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' OE2' ' HA2' ' A' ' 23' ' ' GLY . 7.5 tp10 -51.13 -55.3 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.386 174.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.43 -39.27 72.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.138 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HA ' ' HB2' ' A' ' 73' ' ' HIS . 20.9 mm-40 -76.05 -36.19 59.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.526 HG22 ' CZ3' ' A' ' 67' ' ' TRP . 60.8 t -70.72 -27.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.317 0.579 . . . . 0.0 109.936 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -71.69 -28.09 63.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.877 170.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -77.42 -46.69 21.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.187 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 78' ' ' LYS . 1.8 pp -71.51 150.57 44.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.37 0.605 . . . . 0.0 112.336 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -76.95 178.6 6.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -59.22 -42.42 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 -178.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.47 -42.4 87.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 82.8 tttt -79.02 -28.37 43.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.95 -39.87 95.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.555 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 51.3 mt-10 -64.74 -44.57 89.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.263 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.95 -36.5 79.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.977 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -45.46 89.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.586 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.35 -27.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.451 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.609 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 m120 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.648 ' HA ' ' HB ' ' A' ' 26' ' ' THR . 21.8 m-70 -92.06 119.69 31.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -102.4 127.85 49.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -173.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 t -109.52 107.34 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CZ ' ' HA3' ' A' ' 23' ' ' GLY . 34.2 p90 -112.89 130.35 56.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 111.521 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 20' ' ' TRP . 8.5 mm -104.83 115.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.075 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.38 126.36 55.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.741 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 39.7 tt0 -89.9 115.98 27.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.286 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -90.68 178.64 6.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.296 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -53.17 -34.85 58.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.999 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.94 -13.13 61.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.293 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 9.96 85.1 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -93.17 141.87 27.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.745 -0.728 . . . . 0.0 109.085 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.504 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.6 m0 -102.21 125.83 49.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -91.62 122.47 34.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.354 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -95.99 98.88 10.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -97.16 146.5 18.31 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.446 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 45.4 t80 -134.67 123.36 23.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.7 t -147.87 162.01 40.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.648 ' HB ' ' HA ' ' A' ' 8' ' ' HIS . 7.3 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 0.0 110.439 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HA ' HG21 ' A' ' 32' ' ' ILE . 12.2 t70 -67.62 -39.64 84.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -173.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 ttt-85 -54.27 -37.87 65.21 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.099 0.476 . . . . 0.0 110.859 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 31' ' ' ARG . 6.6 mmt180 -66.41 -55.01 17.83 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.434 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.499 HG21 ' HA ' ' A' ' 29' ' ' ASP . 13.9 tt -61.93 -31.68 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.963 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HZ2' ' CG ' ' A' ' 29' ' ' ASP . 13.0 mptt -60.8 -41.03 94.84 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.049 175.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -56.59 -46.05 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.211 0.529 . . . . 0.0 110.192 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -66.89 -51.04 60.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.831 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.25 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.068 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -178.125 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' GLU . 29.7 mtm180 -94.85 112.66 24.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.31 119.68 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.022 0.439 . . . . 0.0 110.341 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.5 HG13 HG23 ' A' ' 83' ' ' VAL . 55.7 t -86.58 -54.55 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.25 164.15 39.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 m -153.84 128.18 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.109 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -119.17 157.85 27.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.78 112.01 8.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -117.1 129.47 25.31 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.061 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.09 -16.4 25.43 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.708 2.272 . . . . 0.0 112.091 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 13.4 m -85.4 124.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 82.0 tttt -61.05 -54.51 43.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.272 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -33.04 74.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.41 -174.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 30.9 tt0 -68.52 -42.46 78.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.069 -178.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.18 74.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.5 tpp -62.16 -47.44 84.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 110.102 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.43 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.4 ' CZ3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -56.96 -59.44 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.675 -176.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.85 -53.55 55.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 88.4 t80 -54.74 -52.78 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.585 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 42.2 mt-10 -63.47 -44.97 92.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.341 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.4 t -63.58 -36.32 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.042 0.449 . . . . 0.0 110.687 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 56.7 tttp -54.76 -41.92 71.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.628 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.484 ' NE2' ' HA ' ' A' ' 70' ' ' GLU . 33.8 p80 -100.73 8.02 43.52 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.562 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 16.8 mt -62.07 153.66 29.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.042 0.449 . . . . 0.0 111.009 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -75.61 164.84 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.647 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -56.73 -36.3 69.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.986 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -68.28 -42.38 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HG3' HD21 ' A' ' 74' ' ' LEU . 1.5 mmtm -67.11 -39.59 86.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.59 -40.95 98.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.64 -33.51 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.667 0.27 . . . . 0.0 110.312 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.91 -41.91 97.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.112 0.482 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.625 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.5 HG23 HG13 ' A' ' 53' ' ' VAL . 42.2 t -85.15 -4.28 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.273 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.235 0.541 . . . . 0.0 110.363 175.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.792 0.33 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -100.26 103.87 15.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.944 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -107.4 128.09 54.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.319 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.763 HG23 ' NE1' ' A' ' 67' ' ' TRP . 48.2 t -102.97 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -103.8 128.67 51.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 18.7 tt -107.21 111.14 34.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.679 0.752 . . . . 0.0 109.252 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 52' ' ' LEU . 1.8 tp -92.76 141.16 28.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.787 -176.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 27.0 tt0 -90.07 122.85 33.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 170.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -102.16 166.36 10.64 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.448 0.468 . . . . 0.0 110.95 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -60.2 -20.52 59.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -86.23 -2.4 58.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.53 -0.7 89.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.901 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -90.28 127.09 36.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 110.357 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.502 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.0 m0 -79.23 117.84 20.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 80.0 t80 -95.5 106.89 19.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 -175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 99.59 8.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.005 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.54 139.11 14.47 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.619 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -102.45 112.27 24.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.815 0.341 . . . . 0.0 110.12 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.6 m -107.74 130.14 54.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 111.368 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 C--N 1.319 -0.761 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.76 -38.95 83.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.588 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -56.05 -49.12 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.321 0.581 . . . . 0.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -68.69 -52.3 32.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.261 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -61.86 -53.39 48.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -61.47 -49.22 77.64 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.19 -32.74 72.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.61 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.76 -50.83 61.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.345 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.77 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -143.7 -179.87 6.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -162.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 13' ' ' LEU . 53.6 tp -78.02 148.43 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.764 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 37.8 t -110.39 -54.24 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.0 166.77 27.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 46.9 m -153.12 136.62 15.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.31 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -125.58 165.52 18.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.744 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 133.8 29.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.626 0.25 . . . . 0.0 110.765 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 74.9 m-85 -130.82 131.66 23.41 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.357 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 21.6 Cg_exo -66.85 -22.01 49.76 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.789 2.326 . . . . 0.0 112.939 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -118.77 132.54 56.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 65' ' ' MET . 21.9 pttp -62.08 -30.37 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.844 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -61.05 -50.36 73.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.54 . . . . 0.0 110.538 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 67' ' ' TRP . 7.0 mm-40 -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.304 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.18 91.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.66 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 68.5 mtm -65.47 -43.64 89.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.512 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 66' ' ' ARG . 43.3 mtm180 -68.05 -40.86 82.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 109.866 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.763 ' NE1' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -55.48 -57.81 10.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.665 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.81 -44.83 86.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.822 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.37 -45.35 80.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.442 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 60.9 mt-10 -62.39 -45.74 91.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.571 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.6 t -60.48 -39.21 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.327 0.584 . . . . 0.0 110.842 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 27.0 ttmt -63.31 -25.98 68.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.166 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.33 6.69 44.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.067 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 49.4 mt -81.09 143.65 32.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.046 0.45 . . . . 0.0 111.466 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -76.51 176.11 8.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.763 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 12.1 ptm180 -58.58 -43.87 89.6 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.532 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.515 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.6 ptt180 -64.5 -26.08 68.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -86.85 -39.31 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.327 -178.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.56 -42.58 91.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 109.813 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.85 -34.47 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.653 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -62.99 -50.42 70.81 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -40.58 80.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.616 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.71 -48.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.02 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.326 -177.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.559 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 5.5 p30 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -111.69 97.26 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.401 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 98.4 m-85 -96.03 136.67 36.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.775 HG23 ' HE1' ' A' ' 67' ' ' TRP . 10.6 t -116.36 98.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.547 175.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -100.25 127.44 46.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.484 HG21 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -108.97 110.9 33.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.771 0.796 . . . . 0.0 109.377 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 52' ' ' LEU . 74.6 mt -99.58 134.75 42.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.7 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 34.3 tt0 -95.09 133.79 38.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.38 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.18 179.01 7.01 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -60.8 -30.82 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.42 166.57 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.892 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.61 37.86 1.87 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.582 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -119.18 128.35 54.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.436 ' NE1' HG21 ' A' ' 53' ' ' VAL . 2.1 m-90 -97.71 144.59 27.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.959 0.409 . . . . 0.0 111.247 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -108.61 103.62 12.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -88.62 107.04 18.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.71 116.86 5.53 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.37 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.712 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . 57.3 t80 -96.0 108.04 20.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 9' ' ' TYR . 8.9 t -119.3 134.08 55.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.427 0.632 . . . . 0.0 111.857 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 12.1 m . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.1 -47.38 61.93 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.779 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 48.1 ttt180 -54.87 -50.75 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.723 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -63.37 -56.67 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.357 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.38 -40.53 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.191 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 33' ' ' LYS . 35.7 ttmt -61.54 -41.44 97.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.154 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 31.6 mmmt -60.69 -34.93 75.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -76.41 -44.4 36.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.432 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -60.12 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.021 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.327 -176.111 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 79.8 m-85 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 51' ' ' ARG . 47.0 mtm-85 -95.75 123.53 39.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.22 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' HA ' HD21 ' A' ' 13' ' ' LEU . 56.3 tp -75.01 109.63 8.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.031 0.443 . . . . 0.0 109.948 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.488 HG11 HG22 ' A' ' 83' ' ' VAL . 38.9 t -79.76 -64.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.394 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.25 153.23 45.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -133.88 110.81 9.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.164 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -99.23 151.34 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.6 14.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -111.81 132.04 22.13 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.134 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.98 -3.23 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.736 2.291 . . . . 0.0 112.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.477 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . 18.9 m -117.11 129.11 55.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.581 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -60.22 -56.36 22.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.908 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' HB3' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.35 -33.2 75.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -173.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -56.55 -53.7 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.81 62.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.453 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.8 ttm -69.07 -51.83 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -65.54 -39.23 91.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.775 ' HE1' HG23 ' A' ' 10' ' ' VAL . 1.3 t-105 -54.65 -65.94 0.49 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.773 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 2.0 tm-20 -59.46 -42.89 93.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.306 -172.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.51 -43.93 76.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.252 0.549 . . . . 0.0 110.537 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.625 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 53.7 mt-10 -74.13 -34.48 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.522 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 67' ' ' TRP . 96.8 t -59.15 -43.43 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -58.4 -43.53 88.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.68 -10.52 59.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.011 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.7 mt -74.55 127.38 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -62.37 167.32 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -31.26 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.604 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.85 -47.31 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.737 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.93 -29.21 61.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' O ' HG21 ' A' ' 83' ' ' VAL . 54.0 mttp -67.0 -35.6 80.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -64.62 -33.62 76.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.299 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.92 -39.77 90.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 109.732 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.55 -35.51 80.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.626 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 79' ' ' LYS . 87.4 t -69.53 -22.68 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.253 0.549 . . . . 0.0 110.748 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.178 0.513 . . . . 0.0 110.498 178.301 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -109.95 112.74 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -111.28 140.46 45.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.85 HG21 ' HE1' ' A' ' 67' ' ' TRP . 16.0 t -126.42 99.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.088 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 48.2 p90 -98.49 146.65 25.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 53' ' ' VAL . 13.8 tt -123.25 114.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.875 0.845 . . . . 0.0 109.543 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.5 mt -105.8 135.45 47.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.503 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.29 127.29 35.18 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.34 177.65 8.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.637 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.78 -26.0 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.334 0.588 . . . . 0.0 109.961 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.9 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.708 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.33 46.95 2.85 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.001 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -120.24 135.28 55.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.953 0.406 . . . . 0.0 110.139 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -97.96 126.17 43.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.044 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.5 t80 -93.63 108.51 20.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.361 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.467 HG23 HG11 ' A' ' 71' ' ' VAL . 7.0 m -83.03 106.45 14.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -99.38 108.51 3.57 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.226 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -93.01 101.21 13.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.485 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 93.1 m -104.8 122.52 45.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.231 0.538 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 171.55 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.455 -0.181 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.4 -58.67 7.01 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.485 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -60.82 -37.51 82.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.436 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -65.57 -56.8 10.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.62 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -61.34 -35.98 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.446 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.18 -60.4 3.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.724 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.67 -27.44 69.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.621 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -59.9 -60.5 3.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.79 -59.58 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -167.027 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -117.75 129.79 55.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.005 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.3 tp -69.68 122.72 19.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 111.244 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.531 ' HB ' HG22 ' A' ' 12' ' ' ILE . 44.9 t -91.88 -61.1 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.716 176.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.63 167.73 26.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.661 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -150.57 130.26 13.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.092 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -118.64 156.98 28.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.867 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.96 132.37 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 52.8 m-85 -133.45 125.02 18.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.2 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 5.6 Cg_exo -78.56 -11.36 15.66 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.762 2.308 . . . . 0.0 111.588 176.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -94.73 118.66 32.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -176.139 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -60.27 -48.55 81.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.53 -43.42 90.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.832 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 86.9 tt0 -62.6 -49.26 75.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.47 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.15 75.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.355 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.5 ttm -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.73 -37.72 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.251 0.548 . . . . 0.0 109.97 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.85 ' HE1' HG21 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -59.77 -59.83 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.464 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.486 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 9.6 tt0 -48.62 -48.79 39.14 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.369 0.668 . . . . 0.0 111.471 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -55.14 -42.78 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.929 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mm-40 -62.05 -40.32 95.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.368 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.627 ' HA ' ' CD1' ' A' ' 74' ' ' LEU . 39.2 t -59.41 -35.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.532 . . . . 0.0 111.102 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 89.7 mttt -70.48 -27.74 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.422 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -81.3 -31.09 33.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' CD1' ' HA ' ' A' ' 71' ' ' VAL . 67.7 mt -49.65 124.43 9.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.298 -173.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 m -75.71 -174.57 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.739 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.85 -46.91 78.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.56 0.219 . . . . 0.0 111.35 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -66.56 -38.24 86.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.383 -176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 15.2 mttm -65.06 -41.98 94.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 74' ' ' LEU . 97.9 mttt -64.32 -39.72 94.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.115 0.483 . . . . 0.0 110.009 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.57 -38.65 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -60.99 -36.61 79.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.713 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.8 mt -69.59 -32.09 70.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.292 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.56 -34.96 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.004 174.384 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 16.0 m-70 -96.28 109.54 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.551 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.9 111.57 23.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.835 0.35 . . . . 0.0 111.625 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.7 t -90.85 111.38 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 169.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -124.51 133.73 53.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.556 HG22 ' HB ' ' A' ' 53' ' ' VAL . 13.7 tt -117.63 116.03 50.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.818 0.818 . . . . 0.0 109.422 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 52' ' ' LEU . 96.2 mt -112.13 129.16 56.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.434 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.702 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 34.6 tt0 -82.73 127.46 33.45 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -84.47 169.63 14.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.378 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -60.49 -30.92 70.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.449 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -70.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.193 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.83 -26.07 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.6 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 t -70.54 140.04 51.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.973 0.416 . . . . 0.0 111.486 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.474 ' HB3' HD11 ' A' ' 12' ' ' ILE . 48.3 m0 -91.52 122.69 34.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.8 t80 -95.85 104.68 16.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 -174.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 m -87.45 96.86 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.134 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.06 162.85 17.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.125 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -138.55 114.54 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -126.87 140.41 52.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.937 0.398 . . . . 0.0 110.092 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 HG21 ' CE1' ' A' ' 8' ' ' HIS . 50.7 m . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.269 0.557 . . . . 0.0 111.88 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.31 -32.1 71.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.184 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -49.68 -59.7 3.55 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.497 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 31' ' ' ARG . 35.5 ttt180 -76.05 -46.32 29.79 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.704 -167.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 tt -60.98 -46.87 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.26 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.3 -43.45 98.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.254 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.17 -33.19 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -77.71 -39.09 45.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.64 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.401 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.268 -178.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.702 ' HD3' ' OE2' ' A' ' 14' ' ' GLU . 3.9 ptm180 -141.49 130.39 23.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 173.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 55' ' ' THR . 57.5 tp -74.76 125.44 28.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.556 ' HB ' HG22 ' A' ' 12' ' ' ILE . 39.8 t -90.32 -54.64 7.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.28 154.03 22.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.518 HG21 HD13 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -134.09 127.82 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.658 177.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -116.54 129.97 56.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.96 109.58 18.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 110.936 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.446 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 51.8 m-85 -112.71 126.3 28.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -78.15 -14.15 15.15 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.947 1.765 . . . . 0.0 111.6 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 6.9 m -89.78 124.97 35.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.798 -174.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 28.4 ttpp -61.18 -50.31 73.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.751 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -55.27 -48.9 73.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.668 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 10.4 mm-40 -59.66 -58.04 10.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.707 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . . . -67.13 -41.3 86.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.5 ttp -62.91 -40.99 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.066 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 14.5 ttp180 -69.03 -44.63 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.405 175.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.49 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -55.05 -48.29 73.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.73 -177.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HG2' ' HE2' ' A' ' 72' ' ' LYS . 31.9 tt0 -58.59 -52.94 63.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.333 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.92 -31.19 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.615 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 88.9 mt-10 -69.33 -61.06 1.94 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 74' ' ' LEU . 39.8 t -59.9 -24.4 29.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 111.262 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HE2' ' HG2' ' A' ' 68' ' ' GLU . 11.4 tppt? -63.61 -45.97 87.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.348 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.28 3.57 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.981 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 44.8 mt -74.95 -177.88 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -147.79 178.9 8.11 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.55 -53.8 6.7 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 112.431 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -61.68 -46.17 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.821 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HG2' HD21 ' A' ' 74' ' ' LEU . 39.0 tptt -74.35 -31.63 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.581 0.705 . . . . 0.0 110.148 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -70.24 -31.61 69.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.012 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.08 -41.92 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.24 -37.86 67.74 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.239 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.5 -37.94 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.323 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 CA--C 1.515 -0.399 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 81.8 m-70 -91.19 96.17 10.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.003 0.43 . . . . 0.0 110.688 -172.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 56' ' ' TRP . 87.7 m-85 -104.01 111.09 23.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.674 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 38.6 t -85.27 114.2 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 33.6 p90 -110.53 140.51 44.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.95 0.405 . . . . 0.0 110.512 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.9 tt -121.78 104.54 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.988 0.899 . . . . 0.0 109.351 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.58 133.23 44.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.027 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -84.5 107.04 16.53 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.42 162.07 29.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.277 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -60.61 -32.28 71.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.28 -3.69 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.204 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.73 6.43 57.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.44 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -89.39 121.39 31.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.767 0.283 . . . . 0.0 110.72 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.729 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 28.9 m0 -76.44 124.82 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 175.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 19.8 t80 -90.94 102.23 15.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.394 -172.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HG1' HG13 ' A' ' 12' ' ' ILE . 24.1 m -103.99 111.66 24.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.971 0.415 . . . . 0.0 111.774 -174.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.51 154.4 24.17 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' HB3' HG23 ' A' ' 10' ' ' VAL . 35.0 p90 -107.68 145.39 33.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.808 0.804 . . . . 0.0 111.469 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 4.8 t -99.79 139.26 35.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.957 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' C ' ' A' ' 25' ' ' THR . 25.8 m . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' HA ' HG21 ' A' ' 32' ' ' ILE . 17.4 m-20 -72.04 -7.83 51.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.824 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -55.26 -51.11 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.558 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -69.24 -48.67 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.59 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.628 HG21 ' HA ' ' A' ' 29' ' ' ASP . 9.7 tt -61.12 -34.42 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.419 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -60.36 -47.65 85.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.972 0.415 . . . . 0.0 110.258 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -61.04 -37.77 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.501 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -61.65 -46.78 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.31 87.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.255 0.55 . . . . 0.0 111.209 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.264 -179.531 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.3 p90 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.586 0.708 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 179.79 4.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.192 167.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.89 127.82 47.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 12' ' ' ILE . 43.5 t -96.23 -54.62 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.438 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.47 166.45 33.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -143.84 130.88 20.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.8 m-90 -108.95 152.59 24.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.58 115.59 14.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.716 0.293 . . . . 0.0 111.149 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 50.2 m-85 -126.14 134.59 26.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.49 -20.11 11.11 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.453 2.102 . . . . 0.0 112.213 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 50.2 m -88.43 127.8 35.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.275 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -61.55 -44.57 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.224 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.85 -37.27 87.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.675 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 6.8 tp10 -64.02 -46.92 82.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.168 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.474 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 68.8 mtm -64.74 -43.37 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.376 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -60.43 -51.02 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.674 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 23.4 t90 -55.82 -54.88 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.846 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.668 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 24.6 tt0 -60.17 -42.81 95.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.283 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.56 -51.34 67.42 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.981 -1.008 . . . . 0.0 111.401 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.74 -52.36 64.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.366 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.527 ' HA ' HD11 ' A' ' 74' ' ' LEU . 95.1 t -57.31 -34.88 47.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.668 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 98.0 mttt -70.35 -47.26 61.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.14 -10.28 59.78 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.437 0.637 . . . . 0.0 110.875 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.787 ' HB3' ' CG ' ' A' ' 78' ' ' LYS . 3.8 mt -66.34 141.36 58.01 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.337 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 19.6 m -77.25 153.13 34.28 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.457 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -29.39 -47.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.65 -15.84 43.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.267 0.556 . . . . 0.0 110.641 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.787 ' CG ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -64.41 -40.16 95.24 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.165 176.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.729 ' HE3' ' HB2' ' A' ' 20' ' ' TRP . 16.0 tttp -75.98 -33.81 59.75 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -172.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.48 -43.13 91.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.645 172.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -74.12 -42.09 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 HD12 ' CZ2' ' A' ' 67' ' ' TRP . 19.0 tp -54.04 -47.13 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.12 -35.35 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.065 0.459 . . . . 0.0 111.155 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 0.0 110.637 179.286 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -125.45 129.51 49.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.858 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -116.59 140.91 48.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.453 HG13 ' CZ3' ' A' ' 67' ' ' TRP . 4.2 t -107.59 115.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -111.45 143.75 41.79 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.15 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HB ' ' A' ' 53' ' ' VAL . 16.4 tt -119.69 114.27 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.725 0.774 . . . . 0.0 109.126 174.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' HD1' ' A' ' 50' ' ' PHE . 7.0 tp -102.07 132.51 47.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.669 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 35.3 tt0 -91.26 120.07 31.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.652 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.17 170.78 9.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.492 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -46.26 -53.31 10.91 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.64 18.39 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.32 13.87 70.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.714 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -78.0 93.89 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.732 0.301 . . . . 0.0 110.295 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 12' ' ' ILE . 15.5 m0 -76.84 122.72 25.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 61.0 t80 -101.13 110.22 22.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 m -86.84 95.42 9.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.632 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.37 173.71 15.25 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.925 -173.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 67.6 t80 -111.71 141.34 45.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.702 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 26' ' ' THR . 51.9 m -150.79 145.47 25.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.089 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 25' ' ' THR . 1.5 m . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.913 0.387 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.513 ' HA ' HG22 ' A' ' 32' ' ' ILE . 30.4 t70 -64.25 -39.35 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.31 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NH1' HG22 ' A' ' 26' ' ' THR . 22.6 ttm180 -59.22 -40.99 87.56 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.052 171.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -73.49 -49.27 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.307 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 29' ' ' ASP . 14.1 tt -61.56 -47.3 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.555 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.73 -38.07 86.57 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.783 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.58 -36.81 72.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.476 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -68.76 -43.59 75.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.998 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.6 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.019 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 177.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' HD1' HD23 ' A' ' 13' ' ' LEU . 85.4 m-85 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.335 0.112 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -119.46 116.51 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 tp -81.85 110.94 17.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.833 0.349 . . . . 0.0 110.42 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.544 ' HB ' HG21 ' A' ' 12' ' ' ILE . 18.3 t -79.57 -49.48 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.62 164.27 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.6 m -144.87 123.97 12.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.784 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -106.12 125.51 51.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.6 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.93 123.92 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.264 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 87.9 m-85 -128.52 117.48 19.9 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 16.1 Cg_exo -70.57 -4.67 15.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.759 2.306 . . . . 0.0 112.403 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -111.92 131.65 55.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.772 0.32 . . . . 0.0 110.675 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 65' ' ' MET . 23.0 pttp -62.2 -32.52 73.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.248 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -62.99 -51.19 67.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.139 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.06 -41.34 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.771 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.37 -48.69 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.385 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 61' ' ' LYS . 63.9 mtt -66.49 -42.63 87.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.086 0.469 . . . . 0.0 110.842 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 66' ' ' ARG . 20.9 ttt180 -70.5 -45.96 64.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.268 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.453 ' CZ3' HG13 ' A' ' 10' ' ' VAL . 34.5 t90 -59.53 -52.76 64.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' OE1' ' HB2' ' A' ' 24' ' ' TYR . 17.6 tt0 -58.75 -48.27 81.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.438 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -52.6 -51.38 60.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.912 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 33.0 tt0 -59.78 -51.87 67.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.085 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' A' ' 74' ' ' LEU . 81.1 t -61.78 -39.18 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.522 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -61.98 -30.99 71.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.469 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -96.17 4.7 52.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.31 . . . . 0.0 111.242 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.0 mt -83.15 155.71 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.418 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -74.56 159.06 32.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.79 -36.43 67.37 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.835 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 77' ' ' ARG . 9.3 ttp180 -62.0 -40.56 96.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.849 -175.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.523 ' HD3' HD22 ' A' ' 74' ' ' LEU . 53.2 tttp -82.92 -29.26 29.31 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.697 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.313 0.578 . . . . 0.0 109.569 173.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -39.76 84.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.764 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -52.83 -48.9 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.55 -34.68 71.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.701 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.18 -36.81 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.423 . . . . 0.0 110.273 176.698 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.443 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 49.5 m-70 -129.51 110.78 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -96.95 146.01 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -172.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.596 HG12 ' CZ3' ' A' ' 67' ' ' TRP . 23.4 t -120.89 111.83 33.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.142 169.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 54.8 p90 -108.38 146.86 32.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.135 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.534 HG22 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -129.1 115.68 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.752 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 52' ' ' LEU . 79.6 mt -112.66 127.23 56.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.856 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.68 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 32.6 tt0 -80.36 112.07 17.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.715 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 m -95.66 154.89 16.98 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -60.18 -19.36 53.69 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.422 0.63 . . . . 0.0 110.534 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.82 -1.06 20.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.323 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.77 8.05 73.8 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.45 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -119.29 148.53 43.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.404 ' HB3' HG12 ' A' ' 12' ' ' ILE . 10.0 m0 -92.33 126.24 37.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 175.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 73.3 t80 -91.57 101.55 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -93.11 108.3 19.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.726 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 134.49 7.85 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.337 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 20.5 t80 -82.08 135.43 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 172.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.489 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 96.0 m -144.58 131.38 20.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.19 173.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' ILE . 9.7 p . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 5.3 p-10 -54.57 -45.63 73.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -72.89 -37.13 67.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.12 -59.96 4.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.058 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' VAL . 14.3 tt -62.11 -40.41 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.208 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 37.2 tttm -61.31 -55.11 35.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.196 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.53 -39.49 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.771 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.93 -43.39 83.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.187 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.218 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.927 178.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.68 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 40.2 ttt180 -116.61 127.49 54.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD12 ' OG1' ' A' ' 55' ' ' THR . 56.0 tp -81.41 110.54 16.94 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.262 -173.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 12' ' ' ILE . 30.1 t -85.77 -45.45 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.698 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.37 158.32 7.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 52' ' ' LEU . 99.7 m -152.76 127.43 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.965 174.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.756 ' HZ2' ' CH2' ' A' ' 67' ' ' TRP . 6.5 p90 -142.69 -178.39 5.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.655 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.6 42.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 90.9 m-85 -129.5 141.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.344 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 6.8 Cg_exo -74.22 -22.85 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.456 2.104 . . . . 0.0 112.201 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -96.97 127.84 43.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 0.0 111.393 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 4.6 tmmm? -60.77 -47.88 84.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.274 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.87 -52.4 62.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.285 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.74 -43.78 92.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.901 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.78 97.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.4 ttm -68.45 -47.38 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.511 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -57.74 -46.36 84.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.756 ' CH2' ' HZ2' ' A' ' 56' ' ' TRP . 19.9 t90 -55.59 -53.56 54.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.02 -177.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -51.25 -57.65 8.26 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.324 0.583 . . . . 0.0 110.501 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 66.9 t80 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.29 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 37.0 tt0 -59.69 -44.24 93.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.612 0.244 . . . . 0.0 110.536 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.427 HG21 ' CH2' ' A' ' 67' ' ' TRP . 88.1 t -70.12 -41.46 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.643 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 14.0 ptmm? -71.69 -14.47 62.04 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.202 0.525 . . . . 0.0 110.216 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 12.0 t-160 -95.19 -12.91 25.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 76.3 mt -72.12 162.77 28.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.204 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 t -70.92 156.77 39.19 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.585 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -59.23 -29.82 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.978 -174.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -68.59 -40.28 80.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.896 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HB3' HD12 ' A' ' 74' ' ' LEU . 14.3 mptt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -61.96 -44.11 97.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.277 0.56 . . . . 0.0 110.134 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.8 -42.95 90.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.793 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -60.91 -40.97 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.363 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.24 -41.42 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.95 -34.68 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 110.673 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 109.868 174.472 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.605 0.717 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 76.5 t60 -84.37 131.32 34.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.799 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -115.33 122.79 46.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.303 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.463 HG11 ' CE3' ' A' ' 67' ' ' TRP . 47.2 t -95.69 94.88 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.469 ' HD1' ' CD1' ' A' ' 13' ' ' LEU . 54.5 p90 -108.6 137.81 45.93 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.805 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 20' ' ' TRP . 15.3 tt -121.58 123.11 68.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.482 0.658 . . . . 0.0 110.657 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' CD1' ' HD1' ' A' ' 11' ' ' TYR . 11.1 mp -107.46 123.17 48.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.803 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.854 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 36.1 tt0 -80.37 112.79 18.04 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 170.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.44 159.84 32.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -52.48 -31.28 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.0 111.024 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.96 -25.37 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.48 -2.0 27.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -83.26 127.68 33.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' A' ' 12' ' ' ILE . 50.3 m0 -88.76 112.71 23.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.453 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 77.5 t80 -95.1 116.94 29.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.651 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 m -86.33 110.82 19.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.913 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.19 138.09 13.67 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.914 -176.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD2' ' HE1' ' A' ' 8' ' ' HIS . 34.1 t80 -104.15 117.17 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.268 -0.466 . . . . 0.0 109.878 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 t -139.73 139.72 36.6 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.031 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.402 178.52 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.565 0.222 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HA ' HG22 ' A' ' 32' ' ' ILE . 23.2 t70 -63.99 -44.79 91.61 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.888 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -54.39 -46.24 73.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.715 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -70.15 -51.43 31.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.241 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 29' ' ' ASP . 16.5 tt -62.58 -35.38 69.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.504 0.192 . . . . 0.0 111.454 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.82 -49.55 77.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 110.854 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 30.7 mmtp -61.7 -29.13 69.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.497 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.91 -45.98 66.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.889 0.376 . . . . 0.0 110.427 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.66 -57.84 10.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.113 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.606 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 p90 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 121.259 0.552 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.854 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 2.4 tpp180 -111.73 106.15 14.86 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.77 105.62 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 12' ' ' ILE . 40.5 t -80.74 -58.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.149 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.38 163.26 40.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.274 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -148.82 119.02 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.816 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -105.27 128.66 53.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 8' ' ' HIS . . . -107.97 124.58 50.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.781 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 81.3 m-85 -133.18 127.62 20.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.614 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 76.5 Cg_endo -92.66 21.7 0.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.196 2.597 . . . . 0.0 112.882 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 m -119.99 138.63 53.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.037 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -60.33 -57.74 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.711 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.68 -48.1 82.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.779 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 tp10 -56.6 -46.04 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.275 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.08 65.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.321 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 44.4 ttm -63.39 -48.22 78.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.82 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.7 ttm-85 -65.05 -44.02 90.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.404 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -55.5 -52.19 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.37 -176.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -60.43 -54.7 42.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.585 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 67.8 t80 -58.71 -40.23 83.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.959 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 tt0 -64.28 -49.37 72.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.493 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 77.1 t -60.82 -34.15 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.025 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 31.5 mmtp -52.51 -43.86 65.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.127 0.489 . . . . 0.0 110.906 175.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -90.58 -3.48 57.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.282 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 47.1 mt -73.41 133.89 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.963 0.411 . . . . 0.0 110.669 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.5 t -75.72 166.87 22.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.42 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 14.3 ptt180 -48.99 -45.65 42.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.263 0.352 . . . . 0.0 111.657 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -70.72 -28.47 64.75 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.064 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HG2' HD23 ' A' ' 74' ' ' LEU . 18.0 tptm -78.74 -27.86 44.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.925 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.1 -38.04 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 50.8 mt-10 -65.84 -38.36 88.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.977 173.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.86 -41.15 95.34 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.44 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.48 -38.82 92.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.135 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -70.79 -18.16 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.278 0.561 . . . . 0.0 110.098 175.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.368 0.604 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.514 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 16.1 m120 -99.85 113.05 25.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.478 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -104.87 106.79 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.555 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 7' ' ' ASN . 92.3 m-85 -117.86 112.07 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.281 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG12 ' CZ3' ' A' ' 67' ' ' TRP . 20.7 t -84.52 113.27 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.646 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 40.8 p90 -105.85 136.54 45.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.4 tt -121.19 115.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.849 0.833 . . . . 0.0 109.279 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' ' 50' ' ' PHE . 94.9 mt -111.43 127.06 55.56 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.805 -174.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.7 tt0 -77.65 117.75 19.36 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.23 174.29 11.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.708 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -53.31 -32.24 47.94 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.675 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.91 -19.66 36.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.531 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.86 -4.32 39.16 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.044 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -89.31 124.38 34.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.15 0.5 . . . . 0.0 110.731 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 76.0 t80 -91.77 116.12 28.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.316 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.4 m -103.42 130.2 50.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.741 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' HA2' ' OE2' ' A' ' 68' ' ' GLU . . . -175.69 136.81 3.48 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.506 ' HB3' HG21 ' A' ' 10' ' ' VAL . 4.2 p90 -101.98 137.13 40.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.536 0.668 . . . . 0.0 111.029 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.646 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 13.3 t -100.51 153.08 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 48.1 m -152.05 74.76 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 0.0 110.979 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.16 127.26 26.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.6 -24.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.585 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.36 -47.01 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.236 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -58.05 -37.84 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.692 0.282 . . . . 0.0 111.728 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.05 -58.53 5.29 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.112 0.482 . . . . 0.0 110.825 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.49 -35.55 67.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.48 -44.94 89.53 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.543 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.16 -42.5 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -67.58 -44.0 79.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.37 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 m -69.85 -33.19 71.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.41 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.94 -23.69 52.1 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.078 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 92.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 0.0 110.252 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.78 32.39 15.3 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.899 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.16 167.05 23.32 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 117.034 0.417 . . . . 0.0 110.999 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -112.26 160.19 17.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 110.835 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.96 -34.14 69.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.854 0.862 . . . . 0.0 112.097 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 m -61.32 111.57 1.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -161.0 118.11 2.32 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.581 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.89 170.07 20.84 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 48' ' ' GLY . 49.1 ptt85 -158.61 -47.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.411 . . . . 0.0 111.274 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 47' ' ' ARG . . . 139.55 -172.72 23.16 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -93.14 19.21 37.48 Favored 'Cis proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.663 -1.391 . . . . 0.0 111.793 -2.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.618 ' HB3' HD13 ' A' ' 13' ' ' LEU . 74.8 m-85 -78.97 106.98 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.622 -178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.669 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 49.4 ttt180 -92.91 114.11 26.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HA ' HD21 ' A' ' 13' ' ' LEU . 56.3 tp -72.24 116.31 12.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.142 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' HB ' HG23 ' A' ' 12' ' ' ILE . 37.5 t -86.54 -47.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.95 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.11 171.48 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.502 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -140.47 127.98 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -114.03 115.01 26.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.711 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.29 126.01 49.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.658 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 80.7 m-85 -125.43 120.54 24.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.815 0.34 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 10.3 Cg_exo -72.72 -9.26 23.66 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.005 2.47 . . . . 0.0 111.538 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m -97.62 136.05 38.57 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.972 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.38 -57.97 10.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.577 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -64.87 -38.17 90.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.355 -172.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 72.5 mm-40 -62.26 -37.56 85.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.632 0.253 . . . . 0.0 110.813 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.91 79.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.42 -42.77 82.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.178 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HG2' ' HA ' ' A' ' 63' ' ' GLU . 9.3 ptm180 -73.58 -34.12 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.308 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.582 ' CZ3' HG12 ' A' ' 10' ' ' VAL . 5.3 t90 -63.57 -53.58 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' OE2' ' HA2' ' A' ' 23' ' ' GLY . 7.5 tp10 -51.13 -55.3 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.386 174.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.43 -39.27 72.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.138 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HA ' ' HB2' ' A' ' 73' ' ' HIS . 20.9 mm-40 -76.05 -36.19 59.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.526 HG22 ' CZ3' ' A' ' 67' ' ' TRP . 60.8 t -70.72 -27.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.317 0.579 . . . . 0.0 109.936 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -71.69 -28.09 63.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.877 170.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -77.42 -46.69 21.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.187 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 78' ' ' LYS . 1.8 pp -71.51 150.57 44.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.37 0.605 . . . . 0.0 112.336 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -76.95 178.6 6.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -59.22 -42.42 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 -178.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.47 -42.4 87.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 82.8 tttt -79.02 -28.37 43.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.95 -39.87 95.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.555 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 51.3 mt-10 -64.74 -44.57 89.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.263 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.478 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 80.7 mm-40 -60.95 -36.5 79.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.977 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -45.46 89.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.586 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.35 -27.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.451 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.3 m -68.97 -23.07 64.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.609 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 81' ' ' GLN . 88.6 mt -76.93 -39.02 52.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.221 176.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -163.16 119.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -15.76 3.35 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -26.0 146.76 0.01 OUTLIER Glycine 0 C--N 1.342 0.866 0 O-C-N 124.653 0.855 . . . . 0.0 115.073 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -27.8 56.3 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.163 2.575 . . . . 0.0 113.196 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.495 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.13 -8.2 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.675 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' C ' ' HG1' ' A' ' 93' ' ' THR . 0.9 OUTLIER -69.87 -40.33 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.792 178.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.425 ' HG1' ' C ' ' A' ' 92' ' ' ASN . 34.7 p 47.94 36.2 5.87 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.099 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.4 m -68.19 -69.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.545 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -170.73 -66.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.203 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.79 -86.76 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.06 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.1 p -157.53 12.52 0.22 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.223 0.535 . . . . 0.0 110.473 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 m -92.93 132.9 36.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.022 -175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 177.287 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.459 ' HG3' ' OG1' ' A' ' 26' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.04 126.41 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.227 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.648 ' HA ' ' HB ' ' A' ' 26' ' ' THR . 21.8 m-70 -92.06 119.69 31.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HE2' ' H ' ' A' ' 27' ' ' ASP . 10.3 m-85 -102.4 127.85 49.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -173.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 t -109.52 107.34 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CZ ' ' HA3' ' A' ' 23' ' ' GLY . 34.2 p90 -112.89 130.35 56.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 111.521 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 20' ' ' TRP . 8.5 mm -104.83 115.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.075 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.38 126.36 55.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.741 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 39.7 tt0 -89.9 115.98 27.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.286 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -90.68 178.64 6.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.296 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.577 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 18.5 pttp -53.17 -34.85 58.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.999 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.94 -13.13 61.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.293 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 9.96 85.1 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -93.17 141.87 27.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.745 -0.728 . . . . 0.0 109.085 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.504 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.6 m0 -102.21 125.83 49.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -91.62 122.47 34.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.354 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -95.99 98.88 10.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -97.16 146.5 18.31 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.446 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 45.4 t80 -134.67 123.36 23.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.7 t -147.87 162.01 40.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.648 ' HB ' ' HA ' ' A' ' 8' ' ' HIS . 7.3 t -153.56 90.45 1.41 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 0.0 110.439 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' H ' ' HE2' ' A' ' 9' ' ' TYR . 1.8 p30 -136.62 140.45 42.83 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.727 -175.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p -64.98 -12.75 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.645 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HA ' HG21 ' A' ' 32' ' ' ILE . 12.2 t70 -67.62 -39.64 84.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -173.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 ttt-85 -54.27 -37.87 65.21 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.099 0.476 . . . . 0.0 110.859 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 31' ' ' ARG . 6.6 mmt180 -66.41 -55.01 17.83 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.434 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 HG21 ' HA ' ' A' ' 29' ' ' ASP . 13.9 tt -61.93 -31.68 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.963 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HZ2' ' CG ' ' A' ' 29' ' ' ASP . 13.0 mptt -60.8 -41.03 94.84 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.049 175.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -56.59 -46.05 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.211 0.529 . . . . 0.0 110.192 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -66.89 -51.04 60.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.831 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.25 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.068 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -75.5 -22.31 57.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.15 -15.25 36.13 Favored Glycine 0 N--CA 1.449 -0.467 0 O-C-N 123.476 0.485 . . . . 0.0 113.898 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -62.22 -51.07 69.27 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.03 0.415 . . . . 0.0 110.132 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.36 -18.63 41.49 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.471 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 73.73 -40.3 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.273 1.029 . . . . 0.0 112.664 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -148.01 164.87 32.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.657 0.265 . . . . 0.0 111.178 -173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.36 118.01 6.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 167.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -53.06 -75.69 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.712 0.633 . . . . 0.0 111.984 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 45' ' ' ARG . 29.1 mtp85 44.13 -129.39 0.9 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.11 0.564 . . . . 0.0 112.101 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.24 -91.36 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 67.66 102.61 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.398 0.618 . . . . 0.0 111.061 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.19 -161.72 12.42 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.253 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.577 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 9.7 Cg_endo -89.61 105.31 0.55 Allowed 'Cis proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.575 -1.427 . . . . 0.0 112.121 -0.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.66 101.64 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.392 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' GLU . 29.7 mtm180 -94.85 112.66 24.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.31 119.68 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.022 0.439 . . . . 0.0 110.341 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.571 HG11 ' HD3' ' A' ' 86' ' ' LYS . 55.7 t -86.58 -54.55 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.25 164.15 39.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 m -153.84 128.18 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.109 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -119.17 157.85 27.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.78 112.01 8.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -117.1 129.47 25.31 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.061 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.09 -16.4 25.43 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.708 2.272 . . . . 0.0 112.091 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 13.4 m -85.4 124.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 82.0 tttt -61.05 -54.51 43.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.272 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -33.04 74.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.41 -174.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 30.9 tt0 -68.52 -42.46 78.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.069 -178.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.18 74.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.5 tpp -62.16 -47.44 84.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 110.102 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.43 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.4 ' CZ3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -56.96 -59.44 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.675 -176.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.85 -53.55 55.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 88.4 t80 -54.74 -52.78 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.585 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 42.2 mt-10 -63.47 -44.97 92.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.341 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.4 t -63.58 -36.32 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.042 0.449 . . . . 0.0 110.687 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 56.7 tttp -54.76 -41.92 71.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.628 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.484 ' NE2' ' HA ' ' A' ' 70' ' ' GLU . 33.8 p80 -100.73 8.02 43.52 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.562 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 16.8 mt -62.07 153.66 29.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.042 0.449 . . . . 0.0 111.009 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -75.61 164.84 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.647 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -56.73 -36.3 69.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.986 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -68.28 -42.38 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HG3' HD21 ' A' ' 74' ' ' LEU . 1.5 mmtm -67.11 -39.59 86.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.59 -40.95 98.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.64 -33.51 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.667 0.27 . . . . 0.0 110.312 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.91 -41.91 97.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.112 0.482 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.625 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.5 HG23 HG13 ' A' ' 53' ' ' VAL . 42.2 t -85.15 -4.28 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.273 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 m -71.47 4.41 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.235 0.541 . . . . 0.0 110.363 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.1 mt -109.64 14.43 23.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.402 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.571 ' HD3' HG11 ' A' ' 53' ' ' VAL . 23.7 tptm -44.11 122.23 2.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.465 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.9 -39.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.18 -147.58 1.75 Allowed Glycine 0 C--N 1.335 0.475 0 O-C-N 124.484 0.755 . . . . 0.0 114.148 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 55.5 Cg_endo -97.88 -163.98 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.888 3.058 . . . . 0.0 112.645 176.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.45 65.33 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.455 0.645 . . . . 0.0 109.821 176.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HG2' ' HG2' ' A' ' 89' ' ' PRO . 4.6 mm-40 -82.59 -114.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.773 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' H ' ' HB3' ' A' ' 91' ' ' GLU . 22.2 t-20 53.32 36.25 22.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.234 0.54 . . . . 0.0 109.752 -165.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.2 p -128.64 -27.01 2.65 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.411 ' HG1' ' CD ' ' A' ' 91' ' ' GLU . 30.7 m -73.37 75.67 1.38 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.709 0.766 . . . . 0.0 111.968 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 20.3 ttmm -170.28 28.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 172.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.4 mt 63.75 -79.95 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.377 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 m -174.15 25.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 64.79 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.923 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.104 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.432 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.372 0.606 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 123.33 21.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -100.26 103.87 15.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.944 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -107.4 128.09 54.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.319 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.763 HG23 ' NE1' ' A' ' 67' ' ' TRP . 48.2 t -102.97 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -103.8 128.67 51.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 18.7 tt -107.21 111.14 34.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.679 0.752 . . . . 0.0 109.252 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 52' ' ' LEU . 1.8 tp -92.76 141.16 28.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.787 -176.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 27.0 tt0 -90.07 122.85 33.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 170.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -102.16 166.36 10.64 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.448 0.468 . . . . 0.0 110.95 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -60.2 -20.52 59.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -86.23 -2.4 58.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.53 -0.7 89.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.901 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -90.28 127.09 36.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 110.357 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.502 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.0 m0 -79.23 117.84 20.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 80.0 t80 -95.5 106.89 19.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 -175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 99.59 8.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.005 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.54 139.11 14.47 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.619 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -102.45 112.27 24.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.815 0.341 . . . . 0.0 110.12 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.6 m -107.74 130.14 54.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 111.368 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 6' ' ' MET . 54.5 m -144.62 71.58 1.31 Allowed 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 7.0 m-20 -135.53 125.33 25.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.789 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.75 -43.07 96.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.76 -38.95 83.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.588 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 27' ' ' ASP . 11.3 mmt180 -56.05 -49.12 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.321 0.581 . . . . 0.0 111.004 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -68.69 -52.3 32.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.261 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -61.86 -53.39 48.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -61.47 -49.22 77.64 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.19 -32.74 72.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.61 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.76 -50.83 61.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.345 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB3' ' HA ' ' A' ' 96' ' ' LEU . 35.6 m -69.4 -29.62 67.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.74 -65.92 2.4 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.37 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 65.7 tttt 47.89 -97.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.429 0.692 . . . . 0.0 112.397 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 39' ' ' LYS . . . -102.53 120.65 6.89 Favored Glycine 0 C--N 1.334 0.46 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.23 97.84 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.0 112.005 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -132.52 25.29 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CE1' ' HD3' ' A' ' 95' ' ' LYS . 94.2 m-85 -112.35 -175.14 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.277 -174.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.985 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.5 t -163.41 -163.04 0.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.721 ' HG3' HG22 ' A' ' 44' ' ' THR . 82.9 mtt180 71.52 171.15 0.32 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.275 0.559 . . . . 0.0 110.961 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.98 146.4 16.46 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.71 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.506 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -67.2 -43.03 83.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 178.227 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.54 175.47 17.72 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.632 -0.795 . . . . 0.0 112.519 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.38 -31.24 5.41 Favored 'Cis proline' 0 C--O 1.237 0.446 0 C-N-CA 123.272 -1.553 . . . . 0.0 112.261 -1.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.77 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.15 -175.53 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.441 -172.254 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -143.7 -179.87 6.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -162.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 13' ' ' LEU . 53.6 tp -78.02 148.43 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.764 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.605 ' O ' ' HD3' ' A' ' 89' ' ' PRO . 37.8 t -110.39 -54.24 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.0 166.77 27.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 46.9 m -153.12 136.62 15.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.31 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -125.58 165.52 18.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.744 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 133.8 29.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.626 0.25 . . . . 0.0 110.765 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 74.9 m-85 -130.82 131.66 23.41 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.357 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 21.6 Cg_exo -66.85 -22.01 49.76 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.789 2.326 . . . . 0.0 112.939 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -118.77 132.54 56.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 65' ' ' MET . 21.9 pttp -62.08 -30.37 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.844 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -61.05 -50.36 73.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.54 . . . . 0.0 110.538 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 67' ' ' TRP . 7.0 mm-40 -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.304 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.18 91.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.66 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 68.5 mtm -65.47 -43.64 89.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.512 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 66' ' ' ARG . 43.3 mtm180 -68.05 -40.86 82.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 109.866 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.763 ' NE1' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -55.48 -57.81 10.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.665 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.81 -44.83 86.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.822 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.37 -45.35 80.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.442 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 60.9 mt-10 -62.39 -45.74 91.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.571 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.6 t -60.48 -39.21 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.327 0.584 . . . . 0.0 110.842 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 27.0 ttmt -63.31 -25.98 68.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.166 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.33 6.69 44.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.067 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 49.4 mt -81.09 143.65 32.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.046 0.45 . . . . 0.0 111.466 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -76.51 176.11 8.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.763 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 12.1 ptm180 -58.58 -43.87 89.6 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.532 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.515 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.6 ptt180 -64.5 -26.08 68.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -86.85 -39.31 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.327 -178.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.56 -42.58 91.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 109.813 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.85 -34.47 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.653 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -62.99 -50.42 70.81 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -40.58 80.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.616 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.71 -48.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.02 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.8 t -68.88 -15.28 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.326 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.1 tp -71.17 -47.49 57.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.296 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -76.68 158.59 30.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.315 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.43 31.08 6.29 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.691 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.18 178.17 2.4 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 121.762 -0.256 . . . . 0.0 113.079 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 53' ' ' VAL . 60.3 Cg_endo -96.31 171.86 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.459 2.773 . . . . 0.0 111.884 172.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -88.62 -68.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 0.4 OUTLIER 56.55 -153.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.562 177.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.985 ' HB3' ' HA ' ' A' ' 44' ' ' THR . 57.5 m-80 71.77 31.32 2.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.919 0.866 . . . . 0.0 108.877 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.2 p -83.6 34.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.37 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -65.82 90.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.062 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' A' ' 96' ' ' LEU . 21.9 pttm -170.74 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.613 171.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.562 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 31.7 mt 56.13 76.52 0.28 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.356 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.0 m -91.18 63.6 5.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.627 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 t -101.27 -11.29 19.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.443 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.299 . . . . 0.0 110.889 -177.25 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.559 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 5.5 p30 -96.06 112.35 24.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 111.003 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -111.69 97.26 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.401 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 98.4 m-85 -96.03 136.67 36.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.775 HG23 ' HE1' ' A' ' 67' ' ' TRP . 10.6 t -116.36 98.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.547 175.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -100.25 127.44 46.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.484 HG21 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -108.97 110.9 33.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.771 0.796 . . . . 0.0 109.377 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 52' ' ' LEU . 74.6 mt -99.58 134.75 42.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.7 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 34.3 tt0 -95.09 133.79 38.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.38 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.18 179.01 7.01 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -60.8 -30.82 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.42 166.57 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.892 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.61 37.86 1.87 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.582 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -119.18 128.35 54.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.436 ' NE1' HG21 ' A' ' 53' ' ' VAL . 2.1 m-90 -97.71 144.59 27.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.959 0.409 . . . . 0.0 111.247 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -108.61 103.62 12.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -88.62 107.04 18.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.71 116.86 5.53 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.37 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.712 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . 57.3 t80 -96.0 108.04 20.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 9' ' ' TYR . 8.9 t -119.3 134.08 55.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.427 0.632 . . . . 0.0 111.857 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 12.1 m -129.15 72.34 1.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -135.82 100.02 4.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.075 -165.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -61.59 -44.32 98.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.1 -47.38 61.93 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.779 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 48.1 ttt180 -54.87 -50.75 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.723 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -63.37 -56.67 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.357 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.38 -40.53 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.191 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 33' ' ' LYS . 35.7 ttmt -61.54 -41.44 97.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.154 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 31.6 mmmt -60.69 -34.93 75.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -76.41 -44.4 36.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.432 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -60.12 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.021 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.8 m -74.55 -29.04 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.327 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.0 -11.9 84.41 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.371 -173.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 111.85 4.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.115 0.457 . . . . 0.0 110.022 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.42 -51.79 0.83 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.18 129.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.585 0.707 . . . . 0.0 112.469 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -82.08 -12.67 58.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' O ' HG21 ' A' ' 44' ' ' THR . 80.8 t80 70.11 -74.71 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.127 0.892 . . . . 0.0 111.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 HG21 ' O ' ' A' ' 43' ' ' TYR . 2.9 t 50.8 -170.6 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.284 1.034 . . . . 0.0 112.257 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 45' ' ' ARG . 8.0 tpt180 -123.84 129.25 50.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.97 -98.63 0.17 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.065 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 64.48 26.38 13.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 110.319 -174.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.3 -179.16 41.06 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.65 14.9 45.77 Favored 'Cis proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.551 -1.437 . . . . 0.0 112.282 -0.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 79.8 m-85 -78.31 101.9 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 51' ' ' ARG . 47.0 mtm-85 -95.75 123.53 39.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.22 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' HA ' HD21 ' A' ' 13' ' ' LEU . 56.3 tp -75.01 109.63 8.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.031 0.443 . . . . 0.0 109.948 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.488 HG11 HG22 ' A' ' 83' ' ' VAL . 38.9 t -79.76 -64.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.394 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.25 153.23 45.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -133.88 110.81 9.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.164 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -99.23 151.34 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.6 14.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -111.81 132.04 22.13 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.134 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.98 -3.23 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.736 2.291 . . . . 0.0 112.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.477 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . 18.9 m -117.11 129.11 55.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.581 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -60.22 -56.36 22.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.908 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' HB3' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.35 -33.2 75.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -173.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -56.55 -53.7 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.81 62.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.453 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.8 ttm -69.07 -51.83 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -65.54 -39.23 91.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.775 ' HE1' HG23 ' A' ' 10' ' ' VAL . 1.3 t-105 -54.65 -65.94 0.49 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.773 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 2.0 tm-20 -59.46 -42.89 93.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.306 -172.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.51 -43.93 76.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.252 0.549 . . . . 0.0 110.537 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.625 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 53.7 mt-10 -74.13 -34.48 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.522 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 67' ' ' TRP . 96.8 t -59.15 -43.43 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -58.4 -43.53 88.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.68 -10.52 59.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.011 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.7 mt -74.55 127.38 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -62.37 167.32 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -31.26 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.604 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.85 -47.31 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.737 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.93 -29.21 61.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' O ' HG21 ' A' ' 83' ' ' VAL . 54.0 mttp -67.0 -35.6 80.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -64.62 -33.62 76.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.299 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.92 -39.77 90.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 109.732 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.55 -35.51 80.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.626 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 79' ' ' LYS . 87.4 t -69.53 -22.68 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.253 0.549 . . . . 0.0 110.748 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 m -76.75 -9.89 58.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.178 0.513 . . . . 0.0 110.498 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -87.06 -14.88 40.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 56.9 tttp -71.54 143.91 49.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.44 48.59 3.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.71 165.54 0.38 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 113.913 0.325 . . . . 0.0 113.913 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -80.46 83.39 2.24 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.414 2.076 . . . . 0.0 111.576 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -163.18 104.77 0.99 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 74.27 142.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.634 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.01 27.56 14.99 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 109.189 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 t -94.19 -7.77 41.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.421 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.5 p -103.05 -96.4 0.3 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.328 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? 58.36 14.8 3.09 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.677 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 96' ' ' LEU . 2.9 mm? -73.68 77.63 1.53 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 110.142 175.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.9 p -72.81 90.82 1.45 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.268 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -56.79 137.04 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.991 -172.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.113 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.022 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -109.95 112.74 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -111.28 140.46 45.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.85 HG21 ' HE1' ' A' ' 67' ' ' TRP . 16.0 t -126.42 99.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.088 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 48.2 p90 -98.49 146.65 25.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 53' ' ' VAL . 13.8 tt -123.25 114.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.875 0.845 . . . . 0.0 109.543 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.5 mt -105.8 135.45 47.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.503 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.29 127.29 35.18 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.34 177.65 8.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.637 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.78 -26.0 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.334 0.588 . . . . 0.0 109.961 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.9 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.708 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.33 46.95 2.85 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.001 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -120.24 135.28 55.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.953 0.406 . . . . 0.0 110.139 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -97.96 126.17 43.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.044 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.5 t80 -93.63 108.51 20.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.361 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.467 HG23 HG11 ' A' ' 71' ' ' VAL . 7.0 m -83.03 106.45 14.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -99.38 108.51 3.57 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.226 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -93.01 101.21 13.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.485 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 93.1 m -104.8 122.52 45.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.231 0.538 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 m -123.53 68.74 1.02 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 171.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.541 ' HB3' ' H ' ' A' ' 30' ' ' ARG . 2.8 m-20 -134.61 100.24 4.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.934 -171.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.38 -28.41 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 163.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.4 -58.67 7.01 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.485 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' H ' ' HB3' ' A' ' 27' ' ' ASP . 36.2 ttm-85 -60.82 -37.51 82.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.436 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -65.57 -56.8 10.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.62 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -61.34 -35.98 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.446 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.18 -60.4 3.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.724 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' HG3' ' HA3' ' A' ' 38' ' ' GLY . 88.6 tttt -62.67 -27.44 69.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.621 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -59.9 -60.5 3.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.79 -59.58 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -94.17 -33.47 13.3 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -167.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HG3' ' A' ' 34' ' ' LYS . . . -65.08 -31.54 81.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.081 -169.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -51.84 -62.77 1.42 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 111.898 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.12 45.57 1.35 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.609 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.45 -78.54 0.14 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.688 -0.301 . . . . 0.0 110.692 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt 52.93 71.68 0.47 Allowed 'General case' 0 CA--C 1.529 0.135 0 O-C-N 123.926 0.766 . . . . 0.0 109.8 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -72.22 -41.57 66.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.182 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 t -81.54 112.3 18.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.549 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -130.98 75.82 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.971 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.23 -42.94 48.76 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 68.0 17.09 9.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.815 0.817 . . . . 0.0 109.502 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.8 177.04 25.15 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.816 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -90.04 5.06 68.83 Favored 'Cis proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.379 -1.509 . . . . 0.0 112.342 -2.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.11 124.28 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.417 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -117.75 129.79 55.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.005 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.3 tp -69.68 122.72 19.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 111.244 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.531 ' HB ' HG22 ' A' ' 12' ' ' ILE . 44.9 t -91.88 -61.1 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.716 176.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.63 167.73 26.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.661 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -150.57 130.26 13.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.092 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -118.64 156.98 28.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.867 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.96 132.37 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 52.8 m-85 -133.45 125.02 18.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.2 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 5.6 Cg_exo -78.56 -11.36 15.66 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.762 2.308 . . . . 0.0 111.588 176.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -94.73 118.66 32.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -176.139 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -60.27 -48.55 81.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.53 -43.42 90.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.832 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 86.9 tt0 -62.6 -49.26 75.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.47 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.15 75.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.355 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.5 ttm -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.73 -37.72 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.251 0.548 . . . . 0.0 109.97 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.85 ' HE1' HG21 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -59.77 -59.83 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.464 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.486 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 9.6 tt0 -48.62 -48.79 39.14 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.369 0.668 . . . . 0.0 111.471 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -55.14 -42.78 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.929 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mm-40 -62.05 -40.32 95.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.368 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.627 ' HA ' ' CD1' ' A' ' 74' ' ' LEU . 39.2 t -59.41 -35.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.532 . . . . 0.0 111.102 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 89.7 mttt -70.48 -27.74 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.422 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -81.3 -31.09 33.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' CD1' ' HA ' ' A' ' 71' ' ' VAL . 67.7 mt -49.65 124.43 9.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.298 -173.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 m -75.71 -174.57 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.739 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.85 -46.91 78.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.56 0.219 . . . . 0.0 111.35 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -66.56 -38.24 86.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.383 -176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 15.2 mttm -65.06 -41.98 94.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 74' ' ' LEU . 97.9 mttt -64.32 -39.72 94.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.115 0.483 . . . . 0.0 110.009 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.57 -38.65 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -60.99 -36.61 79.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.713 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.8 mt -69.59 -32.09 70.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.292 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.56 -34.96 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 t -71.58 -18.81 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.004 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.3 tp -89.61 -0.97 57.87 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -57.28 135.94 56.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.666 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.48 63.83 2.96 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.309 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.66 -135.32 49.5 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.89 -43.52 15.8 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.073 1.849 . . . . 0.0 111.174 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 88.5 t80 168.33 -32.13 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.054 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -142.14 175.02 10.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -71.36 -5.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.3 p 56.21 81.85 0.12 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.588 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -71.01 79.18 0.65 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.959 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 61.1 tttt -121.18 12.68 11.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.213 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.6 mt 73.57 -4.43 2.23 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.079 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.1 p -77.26 -54.09 6.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.397 0.618 . . . . 0.0 109.765 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -90.81 104.23 16.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.917 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.445 -176.508 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.4 mtm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -87.83 120.41 29.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.787 0.327 . . . . 0.0 110.483 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 16.0 m-70 -96.28 109.54 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.551 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.9 111.57 23.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.835 0.35 . . . . 0.0 111.625 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.7 t -90.85 111.38 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 169.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -124.51 133.73 53.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.556 HG22 ' HB ' ' A' ' 53' ' ' VAL . 13.7 tt -117.63 116.03 50.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.818 0.818 . . . . 0.0 109.422 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 52' ' ' LEU . 96.2 mt -112.13 129.16 56.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.434 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.702 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 34.6 tt0 -82.73 127.46 33.45 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -84.47 169.63 14.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.378 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -60.49 -30.92 70.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.449 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -70.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.193 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.604 ' HA2' ' CE ' ' A' ' 95' ' ' LYS . . . 179.83 -26.07 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.6 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 t -70.54 140.04 51.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.973 0.416 . . . . 0.0 111.486 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.474 ' HB3' HD11 ' A' ' 12' ' ' ILE . 48.3 m0 -91.52 122.69 34.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.8 t80 -95.85 104.68 16.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 -174.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 m -87.45 96.86 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.134 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.06 162.85 17.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.125 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -138.55 114.54 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -126.87 140.41 52.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.937 0.398 . . . . 0.0 110.092 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 HG21 ' CE1' ' A' ' 8' ' ' HIS . 50.7 m -145.22 78.46 1.55 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.269 0.557 . . . . 0.0 111.88 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD1' ' HG2' ' A' ' 30' ' ' ARG . 3.8 p-10 -136.51 144.53 44.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.385 169.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.95 -29.22 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.826 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.31 -32.1 71.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.184 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 35.4 mmt180 -49.68 -59.7 3.55 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.497 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 31' ' ' ARG . 35.5 ttt180 -76.05 -46.32 29.79 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.704 -167.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 tt -60.98 -46.87 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.26 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.3 -43.45 98.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.254 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.17 -33.19 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -77.71 -39.09 45.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.64 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.401 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 m -82.59 -22.04 34.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.268 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.76 5.17 71.02 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.595 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -68.22 104.66 1.88 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.62 -53.24 0.66 Allowed Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 61.95 32.92 17.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 112.033 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -68.44 113.87 6.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.98 -174.74 3.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 111.777 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 4.8 m -106.76 6.76 29.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.647 -1.161 . . . . 0.0 109.432 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 44' ' ' THR . 76.7 mtt85 69.5 171.99 0.3 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.292 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.63 127.48 5.44 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.335 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.8 mpt_? -115.21 -3.7 12.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.32 173.91 29.46 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.198 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -88.56 28.25 13.17 Favored 'Cis proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.841 -1.316 . . . . 0.0 112.189 -2.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -146.0 152.93 40.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.702 ' HD3' ' OE2' ' A' ' 14' ' ' GLU . 3.9 ptm180 -141.49 130.39 23.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 173.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 55' ' ' THR . 57.5 tp -74.76 125.44 28.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.556 ' HB ' HG22 ' A' ' 12' ' ' ILE . 39.8 t -90.32 -54.64 7.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.28 154.03 22.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.518 HG21 HD13 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -134.09 127.82 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.658 177.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -116.54 129.97 56.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.96 109.58 18.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 110.936 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.446 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 51.8 m-85 -112.71 126.3 28.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -78.15 -14.15 15.15 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.947 1.765 . . . . 0.0 111.6 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 6.9 m -89.78 124.97 35.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.798 -174.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 28.4 ttpp -61.18 -50.31 73.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.751 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -55.27 -48.9 73.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.668 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 10.4 mm-40 -59.66 -58.04 10.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.707 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 58' ' ' PHE . . . -67.13 -41.3 86.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.5 ttp -62.91 -40.99 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.066 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 14.5 ttp180 -69.03 -44.63 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.405 175.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.49 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -55.05 -48.29 73.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.73 -177.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HG2' ' HE2' ' A' ' 72' ' ' LYS . 31.9 tt0 -58.59 -52.94 63.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.333 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.92 -31.19 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.615 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 88.9 mt-10 -69.33 -61.06 1.94 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 74' ' ' LEU . 39.8 t -59.9 -24.4 29.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 111.262 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HE2' ' HG2' ' A' ' 68' ' ' GLU . 11.4 tppt? -63.61 -45.97 87.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.348 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.28 3.57 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.981 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 44.8 mt -74.95 -177.88 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -147.79 178.9 8.11 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.55 -53.8 6.7 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 112.431 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -61.68 -46.17 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.821 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HG2' HD21 ' A' ' 74' ' ' LEU . 39.0 tptt -74.35 -31.63 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.581 0.705 . . . . 0.0 110.148 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -70.24 -31.61 69.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.012 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.08 -41.92 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.494 ' HG2' HD12 ' A' ' 85' ' ' LEU . 11.8 tt0 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.24 -37.86 67.74 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.239 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.5 -37.94 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -57.06 -37.25 71.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HG2' ' A' ' 81' ' ' GLN . 8.0 mp -67.43 -27.34 66.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.221 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -75.34 -32.37 60.87 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.195 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.73 -26.11 0.45 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.95 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.54 -131.48 49.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.611 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.89 109.1 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.846 2.364 . . . . 0.0 112.152 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -65.21 -37.22 86.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 109.673 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -167.06 73.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 94' ' ' THR . 95.8 m-20 67.14 -61.03 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.568 -168.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 p 61.13 -12.59 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.958 1.303 . . . . 0.0 114.272 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 92' ' ' ASN . 29.8 m 73.98 134.12 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.604 ' CE ' ' HA2' ' A' ' 18' ' ' GLY . 55.4 tttm 74.32 87.99 0.09 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.509 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 97' ' ' SER . 3.9 mm? -90.64 10.79 24.31 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.446 167.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 70.8 m 76.22 167.22 0.26 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.579 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.7 p -81.18 179.07 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.662 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.161 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 33.8 mtt . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.054 0.454 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -105.69 107.03 17.81 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 81.8 m-70 -91.19 96.17 10.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.003 0.43 . . . . 0.0 110.688 -172.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 56' ' ' TRP . 87.7 m-85 -104.01 111.09 23.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 38.6 t -85.27 114.2 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 33.6 p90 -110.53 140.51 44.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.95 0.405 . . . . 0.0 110.512 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.9 tt -121.78 104.54 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.988 0.899 . . . . 0.0 109.351 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.58 133.23 44.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.027 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -84.5 107.04 16.53 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.42 162.07 29.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.277 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 55.2 tttp -60.61 -32.28 71.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.28 -3.69 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.204 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.73 6.43 57.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.44 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -89.39 121.39 31.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.767 0.283 . . . . 0.0 110.72 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.729 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 28.9 m0 -76.44 124.82 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 175.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 19.8 t80 -90.94 102.23 15.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.394 -172.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HG1' HG13 ' A' ' 12' ' ' ILE . 24.1 m -103.99 111.66 24.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.971 0.415 . . . . 0.0 111.774 -174.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.51 154.4 24.17 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' HB3' HG23 ' A' ' 10' ' ' VAL . 35.0 p90 -107.68 145.39 33.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.808 0.804 . . . . 0.0 111.469 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 4.8 t -99.79 139.26 35.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.957 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' C ' ' A' ' 25' ' ' THR . 25.8 m -154.09 57.89 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -136.48 152.11 50.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.732 -173.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.9 p -61.58 -22.07 27.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' HA ' HG21 ' A' ' 32' ' ' ILE . 17.4 m-20 -72.04 -7.83 51.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.824 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -55.26 -51.11 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.558 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -69.24 -48.67 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.59 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.628 HG21 ' HA ' ' A' ' 29' ' ' ASP . 9.7 tt -61.12 -34.42 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.419 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -60.36 -47.65 85.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.972 0.415 . . . . 0.0 110.258 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -61.04 -37.77 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.501 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -61.65 -46.78 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.31 87.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.255 0.55 . . . . 0.0 111.209 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m -76.3 -10.73 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.264 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.1 7.54 10.1 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.443 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? 73.34 77.48 0.14 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.484 0.659 . . . . 0.0 109.249 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.53 -141.21 8.52 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.285 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 61.2 -91.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.183 0.593 . . . . 0.0 111.813 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -122.21 114.03 20.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 0.0 110.345 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -83.85 121.08 26.85 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.713 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -158.44 15.03 0.2 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.429 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 17.9 ptt180 42.18 -156.25 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.9 0.88 . . . . 0.0 112.188 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 45' ' ' ARG . . . 68.44 31.89 74.6 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.297 -178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -97.2 73.37 2.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.649 . . . . 0.0 109.948 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.23 -161.22 27.9 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.747 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.421 ' HB2' ' HB2' ' A' ' 16' ' ' LYS . 72.3 Cg_endo -104.47 28.91 8.9 Favored 'Cis proline' 0 N--CA 1.456 -0.704 0 CA-C-N 118.985 1.393 . . . . 0.0 111.899 -4.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -79.8 148.13 31.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.586 0.708 . . . . 0.0 112.578 -171.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 179.79 4.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.192 167.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.89 127.82 47.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 12' ' ' ILE . 43.5 t -96.23 -54.62 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.438 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.47 166.45 33.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -143.84 130.88 20.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.8 m-90 -108.95 152.59 24.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.58 115.59 14.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.716 0.293 . . . . 0.0 111.149 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 50.2 m-85 -126.14 134.59 26.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.49 -20.11 11.11 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.453 2.102 . . . . 0.0 112.213 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 50.2 m -88.43 127.8 35.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.275 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -61.55 -44.57 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.224 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.85 -37.27 87.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.675 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 6.8 tp10 -64.02 -46.92 82.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.168 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.474 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 68.8 mtm -64.74 -43.37 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.376 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -60.43 -51.02 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.674 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 23.4 t90 -55.82 -54.88 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.846 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 24.6 tt0 -60.17 -42.81 95.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.283 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.56 -51.34 67.42 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.981 -1.008 . . . . 0.0 111.401 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.74 -52.36 64.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.366 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.527 ' HA ' HD11 ' A' ' 74' ' ' LEU . 95.1 t -57.31 -34.88 47.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.668 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 98.0 mttt -70.35 -47.26 61.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.14 -10.28 59.78 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.437 0.637 . . . . 0.0 110.875 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.787 ' HB3' ' CG ' ' A' ' 78' ' ' LYS . 3.8 mt -66.34 141.36 58.01 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.337 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 19.6 m -77.25 153.13 34.28 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.457 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -29.39 -47.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.65 -15.84 43.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.267 0.556 . . . . 0.0 110.641 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.787 ' CG ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -64.41 -40.16 95.24 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.165 176.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.729 ' HE3' ' HB2' ' A' ' 20' ' ' TRP . 16.0 tttp -75.98 -33.81 59.75 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -172.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.48 -43.13 91.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.645 172.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -74.12 -42.09 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 HD12 ' CZ2' ' A' ' 67' ' ' TRP . 19.0 tp -54.04 -47.13 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.12 -35.35 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.065 0.459 . . . . 0.0 111.155 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -69.68 -18.67 63.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 0.0 110.637 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tt -88.11 -17.79 30.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.364 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -161.95 97.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 140.62 -21.9 2.7 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.9 146.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.069 -0.566 . . . . 0.0 114.071 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.609 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 90.3 Cg_endo -85.31 93.13 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.857 2.372 . . . . 0.0 112.98 -178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -81.02 -24.7 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.74 -14.78 17.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.141 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.609 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -87.53 34.72 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.543 0.687 . . . . 0.0 109.367 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 p -65.97 -32.47 73.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.317 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -141.78 143.74 33.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.464 -1.244 . . . . 0.0 108.434 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 61.4 tttp -90.01 -0.26 57.49 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 95' ' ' LYS . 7.3 mp 69.77 -80.63 0.04 OUTLIER 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -174.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.4 m -159.71 -73.98 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -171.66 150.18 2.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 110.491 177.786 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 C--O 1.235 0.317 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 1.132 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 17.4 m-80 -90.73 148.45 22.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -125.45 129.51 49.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.858 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.755 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 90.3 m-85 -116.59 140.91 48.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.453 HG13 ' CZ3' ' A' ' 67' ' ' TRP . 4.2 t -107.59 115.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -111.45 143.75 41.79 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.15 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HB ' ' A' ' 53' ' ' VAL . 16.4 tt -119.69 114.27 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.725 0.774 . . . . 0.0 109.126 174.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' HD1' ' A' ' 50' ' ' PHE . 7.0 tp -102.07 132.51 47.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.669 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 35.3 tt0 -91.26 120.07 31.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.652 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.17 170.78 9.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.492 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' A' ' 49' ' ' PRO . 49.2 tttm -46.26 -53.31 10.91 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -175.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.64 18.39 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.32 13.87 70.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.714 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -78.0 93.89 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.732 0.301 . . . . 0.0 110.295 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.438 ' HB3' ' CG1' ' A' ' 12' ' ' ILE . 15.5 m0 -76.84 122.72 25.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 61.0 t80 -101.13 110.22 22.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 m -86.84 95.42 9.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.632 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.37 173.71 15.25 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.925 -173.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 67.6 t80 -111.71 141.34 45.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.702 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 26' ' ' THR . 51.9 m -150.79 145.47 25.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.089 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' H ' ' A' ' 27' ' ' ASP . 1.5 m -73.59 -176.89 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.132 ' HB3' ' HB2' ' A' ' 7' ' ' ASN . 1.8 p30 -66.44 147.46 53.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.406 0.622 . . . . 0.0 111.316 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.24 -23.08 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.513 ' HA ' HG22 ' A' ' 32' ' ' ILE . 30.4 t70 -64.25 -39.35 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.31 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NH1' HG22 ' A' ' 26' ' ' THR . 22.6 ttm180 -59.22 -40.99 87.56 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.052 171.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -73.49 -49.27 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.307 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 29' ' ' ASP . 14.1 tt -61.56 -47.3 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.555 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.73 -38.07 86.57 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.783 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.58 -36.81 72.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.476 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -68.76 -43.59 75.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.998 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.6 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.019 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 m -68.76 -32.19 71.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.82 -22.26 64.34 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.541 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 69.81 -65.94 0.29 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.56 0.744 . . . . 0.0 111.63 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.95 -67.5 1.9 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.797 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.07 89.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.211 0.604 . . . . 0.0 111.986 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.49 142.22 44.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.896 0.379 . . . . 0.0 110.689 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -72.04 97.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.61 0.719 . . . . 0.0 111.435 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -112.68 99.38 7.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -85.66 164.73 17.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.705 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.58 -128.41 0.52 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.026 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -107.12 -71.98 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.476 -0.426 . . . . 0.0 110.159 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.99 -175.31 15.77 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.135 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.484 ' HD2' ' H ' ' A' ' 16' ' ' LYS . 15.9 Cg_exo -70.88 161.06 90.27 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.673 -1.386 . . . . 0.0 112.164 -4.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' HD1' HD23 ' A' ' 13' ' ' LEU . 85.4 m-85 -115.8 100.06 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.097 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -119.46 116.51 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 tp -81.85 110.94 17.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.833 0.349 . . . . 0.0 110.42 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.544 ' HB ' HG21 ' A' ' 12' ' ' ILE . 18.3 t -79.57 -49.48 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.62 164.27 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.6 m -144.87 123.97 12.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.784 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -106.12 125.51 51.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.6 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.93 123.92 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.264 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 87.9 m-85 -128.52 117.48 19.9 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 16.1 Cg_exo -70.57 -4.67 15.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.759 2.306 . . . . 0.0 112.403 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -111.92 131.65 55.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.772 0.32 . . . . 0.0 110.675 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 65' ' ' MET . 23.0 pttp -62.2 -32.52 73.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.248 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -62.99 -51.19 67.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.139 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.06 -41.34 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.771 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.37 -48.69 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.385 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 61' ' ' LYS . 63.9 mtt -66.49 -42.63 87.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.086 0.469 . . . . 0.0 110.842 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 66' ' ' ARG . 20.9 ttt180 -70.5 -45.96 64.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.268 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.453 ' CZ3' HG13 ' A' ' 10' ' ' VAL . 34.5 t90 -59.53 -52.76 64.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' OE1' ' HB2' ' A' ' 24' ' ' TYR . 17.6 tt0 -58.75 -48.27 81.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.438 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -52.6 -51.38 60.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.912 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 33.0 tt0 -59.78 -51.87 67.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.085 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' A' ' 74' ' ' LEU . 81.1 t -61.78 -39.18 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.522 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -61.98 -30.99 71.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.469 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -96.17 4.7 52.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.31 . . . . 0.0 111.242 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.0 mt -83.15 155.71 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.418 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -74.56 159.06 32.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.79 -36.43 67.37 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.835 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 77' ' ' ARG . 9.3 ttp180 -62.0 -40.56 96.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.849 -175.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.523 ' HD3' HD22 ' A' ' 74' ' ' LEU . 53.2 tttp -82.92 -29.26 29.31 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.697 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.313 0.578 . . . . 0.0 109.569 173.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -39.76 84.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.764 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.623 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 33.6 tt0 -52.83 -48.9 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.55 -34.68 71.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.701 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.18 -36.81 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 m -64.09 -25.87 68.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.423 . . . . 0.0 110.273 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 81' ' ' GLN . 95.8 mt -68.19 -21.86 64.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.004 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -76.7 67.4 2.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.148 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.48 0.83 71.57 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.66 171.86 1.09 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.823 -0.689 . . . . 0.0 112.759 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 44.4 Cg_endo -73.83 -29.61 10.21 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.088 1.859 . . . . 0.0 111.758 176.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 89' ' ' PRO . 27.9 p90 -160.61 21.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.657 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 62.25 -80.22 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.618 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -169.85 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 p 51.51 22.53 1.55 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.84 0.856 . . . . 0.0 113.181 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 m -107.56 -3.03 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.274 0.559 . . . . 0.0 110.098 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt 68.69 4.75 4.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.455 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.0 mt 69.81 -64.45 0.35 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.582 0.753 . . . . 0.0 111.051 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m 64.27 17.44 10.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.275 0.63 . . . . 0.0 111.293 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -115.77 129.58 56.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 178.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptp . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -85.1 152.97 23.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.596 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.443 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 49.5 m-70 -129.51 110.78 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -96.95 146.01 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -172.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.596 HG12 ' CZ3' ' A' ' 67' ' ' TRP . 23.4 t -120.89 111.83 33.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.142 169.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 54.8 p90 -108.38 146.86 32.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.135 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.534 HG22 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -129.1 115.68 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.752 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 52' ' ' LEU . 79.6 mt -112.66 127.23 56.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.856 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.68 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 32.6 tt0 -80.36 112.07 17.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.715 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 m -95.66 154.89 16.98 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -60.18 -19.36 53.69 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.422 0.63 . . . . 0.0 110.534 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.82 -1.06 20.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.323 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.77 8.05 73.8 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.45 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -119.29 148.53 43.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.404 ' HB3' HG12 ' A' ' 12' ' ' ILE . 10.0 m0 -92.33 126.24 37.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 175.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 73.3 t80 -91.57 101.55 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -93.11 108.3 19.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.726 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 134.49 7.85 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.337 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 20.5 t80 -82.08 135.43 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 172.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.489 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 96.0 m -144.58 131.38 20.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.19 173.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -77.76 -178.31 5.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.819 -179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.634 ' H ' HG22 ' A' ' 26' ' ' THR . 3.7 t70 -69.02 -176.28 0.85 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.948 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' ILE . 9.7 p -55.89 -17.26 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.731 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 5.3 p-10 -54.57 -45.63 73.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -72.89 -37.13 67.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.12 -59.96 4.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.058 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' VAL . 14.3 tt -62.11 -40.41 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.208 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 37.2 tttm -61.31 -55.11 35.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.196 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.53 -39.49 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.771 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.93 -43.39 83.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.187 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.218 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m -69.08 -42.1 76.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.927 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.58 89.52 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.244 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttp 46.93 83.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.453 0.644 . . . . 0.0 111.181 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 -37.3 3.71 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.16 92.72 6.33 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 43.7 mtmt -91.59 -21.13 20.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.807 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 93.9 m-85 69.64 114.82 0.04 OUTLIER 'General case' 0 C--O 1.231 0.109 0 O-C-N 124.447 1.092 . . . . 0.0 109.84 -173.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -77.62 38.59 0.25 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.159 -171.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 70.94 -59.28 0.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.832 0.853 . . . . 0.0 112.182 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.53 -86.27 0.75 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -168.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 55.81 74.39 0.38 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.203 0.525 . . . . 0.0 112.315 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.53 140.78 6.91 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.644 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -92.77 129.3 5.72 Favored 'Cis proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.782 -1.341 . . . . 0.0 111.703 -6.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -144.14 130.2 19.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.127 0.489 . . . . 0.0 111.262 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.68 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 40.2 ttt180 -116.61 127.49 54.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD12 ' OG1' ' A' ' 55' ' ' THR . 56.0 tp -81.41 110.54 16.94 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.262 -173.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 12' ' ' ILE . 30.1 t -85.77 -45.45 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.698 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.37 158.32 7.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 52' ' ' LEU . 99.7 m -152.76 127.43 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.965 174.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.756 ' HZ2' ' CH2' ' A' ' 67' ' ' TRP . 6.5 p90 -142.69 -178.39 5.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.655 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.6 42.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 90.9 m-85 -129.5 141.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.344 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 6.8 Cg_exo -74.22 -22.85 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.456 2.104 . . . . 0.0 112.201 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -96.97 127.84 43.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 0.0 111.393 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 4.6 tmmm? -60.77 -47.88 84.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.274 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.87 -52.4 62.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.285 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.74 -43.78 92.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.901 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.78 97.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.4 ttm -68.45 -47.38 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.511 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -57.74 -46.36 84.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.756 ' CH2' ' HZ2' ' A' ' 56' ' ' TRP . 19.9 t90 -55.59 -53.56 54.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.02 -177.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -51.25 -57.65 8.26 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.324 0.583 . . . . 0.0 110.501 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 66.9 t80 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.29 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 37.0 tt0 -59.69 -44.24 93.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.612 0.244 . . . . 0.0 110.536 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.427 HG21 ' CH2' ' A' ' 67' ' ' TRP . 88.1 t -70.12 -41.46 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.643 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 14.0 ptmm? -71.69 -14.47 62.04 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.202 0.525 . . . . 0.0 110.216 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 12.0 t-160 -95.19 -12.91 25.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 76.3 mt -72.12 162.77 28.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.204 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 t -70.92 156.77 39.19 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.585 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -59.23 -29.82 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.978 -174.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -68.59 -40.28 80.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.896 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HB3' HD12 ' A' ' 74' ' ' LEU . 14.3 mptt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -61.96 -44.11 97.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.277 0.56 . . . . 0.0 110.134 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.8 -42.95 90.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.793 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -60.91 -40.97 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.363 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.24 -41.42 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.95 -34.68 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 110.673 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.2 m -68.09 -25.26 65.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 109.868 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.06 16.65 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.272 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' C ' ' H ' ' A' ' 88' ' ' GLY . 65.4 pttt -55.39 156.1 4.71 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 172.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.23 28.89 1.67 Allowed Glycine 0 C--O 1.226 -0.362 0 CA-C-O 119.349 -0.695 . . . . 0.0 113.803 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 86' ' ' LYS . . . -24.18 -108.67 0.0 OUTLIER Glycine 0 N--CA 1.47 0.927 0 C-N-CA 124.614 1.102 . . . . 0.0 115.646 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -89.59 18.48 1.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.908 2.405 . . . . 0.0 112.323 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -149.19 96.12 2.48 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 122.055 0.931 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.674 ' HG2' HD21 ' A' ' 92' ' ' ASN . 40.7 tt0 -72.25 162.22 29.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.883 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.674 HD21 ' HG2' ' A' ' 91' ' ' GLU . 0.9 OUTLIER 76.53 -38.45 0.32 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.981 0.912 . . . . 0.0 111.622 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 p 53.97 22.6 3.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.542 0.737 . . . . 0.0 112.835 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 t -72.62 100.73 2.86 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.778 0.799 . . . . 0.0 109.973 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -139.82 15.6 2.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.667 -176.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.47 90.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 O-C-N 124.226 0.954 . . . . 0.0 113.512 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 m -158.9 87.1 0.85 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.167 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.4 m -151.6 -36.76 0.13 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.422 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 175.221 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 59' ' ' PRO . 43.7 mtm . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.948 0.404 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -79.76 84.6 5.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.605 0.717 . . . . 0.0 109.887 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 76.5 t60 -84.37 131.32 34.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.799 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -115.33 122.79 46.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.303 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.463 HG11 ' CE3' ' A' ' 67' ' ' TRP . 47.2 t -95.69 94.88 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' HD1' ' CD1' ' A' ' 13' ' ' LEU . 54.5 p90 -108.6 137.81 45.93 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.805 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 20' ' ' TRP . 15.3 tt -121.58 123.11 68.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.482 0.658 . . . . 0.0 110.657 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' CD1' ' HD1' ' A' ' 11' ' ' TYR . 11.1 mp -107.46 123.17 48.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.803 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.854 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 36.1 tt0 -80.37 112.79 18.04 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 170.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.44 159.84 32.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -52.48 -31.28 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.0 111.024 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.96 -25.37 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.48 -2.0 27.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -83.26 127.68 33.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' A' ' 12' ' ' ILE . 50.3 m0 -88.76 112.71 23.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.453 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 77.5 t80 -95.1 116.94 29.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.651 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 m -86.33 110.82 19.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.913 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.19 138.09 13.67 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.914 -176.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD2' ' HE1' ' A' ' 8' ' ' HIS . 34.1 t80 -104.15 117.17 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.268 -0.466 . . . . 0.0 109.878 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 t -139.73 139.72 36.6 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.031 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -148.34 76.74 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.402 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -135.54 111.2 9.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.448 . . . . 0.0 111.292 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.87 -36.39 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.904 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HA ' HG22 ' A' ' 32' ' ' ILE . 23.2 t70 -63.99 -44.79 91.61 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.888 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -54.39 -46.24 73.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.715 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -70.15 -51.43 31.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.241 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 29' ' ' ASP . 16.5 tt -62.58 -35.38 69.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.504 0.192 . . . . 0.0 111.454 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.82 -49.55 77.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 110.854 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 30.7 mmtp -61.7 -29.13 69.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.497 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.91 -45.98 66.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.889 0.376 . . . . 0.0 110.427 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.66 -57.84 10.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.113 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 m -85.64 -48.69 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.62 -45.65 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.956 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt 69.61 -64.68 0.33 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.39 0.676 . . . . 0.0 111.433 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.62 2.96 3.48 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.413 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.98 108.6 2.25 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 8.3 ptpp? -108.54 -168.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.848 -173.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -76.14 40.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.336 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 m -69.46 94.47 0.75 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.557 0.218 . . . . 0.0 111.006 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? 64.9 90.84 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.771 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.78 -159.72 32.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.636 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.57 -61.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.577 ' HA2' ' CD1' ' A' ' 50' ' ' PHE . . . 116.87 -161.52 13.03 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.973 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -94.09 97.75 0.15 OUTLIER 'Cis proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.215 -1.577 . . . . 0.0 111.691 -1.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HA2' ' A' ' 48' ' ' GLY . 38.2 p90 -139.03 136.73 35.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.259 0.552 . . . . 0.0 111.372 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.854 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 2.4 tpp180 -111.73 106.15 14.86 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.77 105.62 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 12' ' ' ILE . 40.5 t -80.74 -58.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.149 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.38 163.26 40.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.274 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -148.82 119.02 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.816 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -105.27 128.66 53.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 8' ' ' HIS . . . -107.97 124.58 50.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.781 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 81.3 m-85 -133.18 127.62 20.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.614 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' MET . 76.5 Cg_endo -92.66 21.7 0.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.196 2.597 . . . . 0.0 112.882 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 m -119.99 138.63 53.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.037 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -60.33 -57.74 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.711 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.68 -48.1 82.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.779 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 tp10 -56.6 -46.04 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.275 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.08 65.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.321 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 44.4 ttm -63.39 -48.22 78.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.82 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.7 ttm-85 -65.05 -44.02 90.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.404 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -55.5 -52.19 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.37 -176.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -60.43 -54.7 42.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.585 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 67.8 t80 -58.71 -40.23 83.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.959 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 tt0 -64.28 -49.37 72.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.493 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 77.1 t -60.82 -34.15 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.025 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 31.5 mmtp -52.51 -43.86 65.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.127 0.489 . . . . 0.0 110.906 175.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -90.58 -3.48 57.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.282 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 47.1 mt -73.41 133.89 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.963 0.411 . . . . 0.0 110.669 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.5 t -75.72 166.87 22.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.42 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 14.3 ptt180 -48.99 -45.65 42.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.263 0.352 . . . . 0.0 111.657 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -70.72 -28.47 64.75 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.064 -174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HG2' HD23 ' A' ' 74' ' ' LEU . 18.0 tptm -78.74 -27.86 44.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.925 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.1 -38.04 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 50.8 mt-10 -65.84 -38.36 88.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.977 173.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.86 -41.15 95.34 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.44 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.48 -38.82 92.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.135 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -70.79 -18.16 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 m -68.6 -5.95 22.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.278 0.561 . . . . 0.0 110.098 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.43 21.78 15.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.467 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.448 ' HE2' ' O ' ' A' ' 53' ' ' VAL . 4.6 tmtm? -159.81 140.16 11.92 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.284 0.564 . . . . 0.0 110.33 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.94 -33.68 5.48 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.184 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.28 -118.46 15.0 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.665 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -86.41 104.11 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.997 2.464 . . . . 0.0 113.608 -175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -130.19 32.31 4.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.94 147.02 39.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.35 -168.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.4 t30 72.04 -50.98 0.7 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.775 0.83 . . . . 0.0 111.105 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -89.06 17.79 5.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.563 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -58.71 -68.59 0.25 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 54.9 tttm -163.32 19.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.712 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.6 mt 57.52 33.47 23.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.647 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.1 t -91.77 -72.34 0.59 Allowed 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 52.17 46.01 27.37 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.911 0.757 . . . . 0.0 110.205 174.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.829 -171.307 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 16.1 m120 . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.646 0.26 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -104.87 106.79 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.555 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 7' ' ' ASN . 92.3 m-85 -117.86 112.07 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.281 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.615 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 20.7 t -84.52 113.27 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.661 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 40.8 p90 -105.85 136.54 45.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.4 tt -121.19 115.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.849 0.833 . . . . 0.0 109.279 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 50' ' ' PHE . 94.9 mt -111.43 127.06 55.56 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.805 -174.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.679 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.7 tt0 -77.65 117.75 19.36 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.23 174.29 11.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.708 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -53.31 -32.24 47.94 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.675 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.91 -19.66 36.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.531 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.86 -4.32 39.16 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.044 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -89.31 124.38 34.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.15 0.5 . . . . 0.0 110.731 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 76.0 t80 -91.77 116.12 28.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.316 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.4 m -103.42 130.2 50.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.741 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' HA2' ' OE2' ' A' ' 68' ' ' GLU . . . -175.69 136.81 3.48 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HB3' HG22 ' A' ' 10' ' ' VAL . 4.2 p90 -101.98 137.13 40.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.536 0.668 . . . . 0.0 111.029 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.661 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 13.3 t -100.51 153.08 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 48.1 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 0.0 110.979 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.107 0.48 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.36 -47.01 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.236 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -58.05 -37.84 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.692 0.282 . . . . 0.0 111.728 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.05 -58.53 5.29 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.112 0.482 . . . . 0.0 110.825 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.49 -35.55 67.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.48 -44.94 89.53 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.543 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.16 -42.5 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -67.58 -44.0 79.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.37 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.41 -178.012 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.629 ' HB3' HD13 ' A' ' 13' ' ' LEU . 74.8 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.966 0.412 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 49.4 ttt180 -92.91 114.11 26.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -72.24 116.31 12.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.142 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 12' ' ' ILE . 37.5 t -86.54 -47.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.95 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.11 171.48 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.502 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -140.47 127.98 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -114.03 115.01 26.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.711 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.29 126.01 49.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.658 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 80.7 m-85 -125.43 120.54 24.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.815 0.34 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 10.3 Cg_exo -72.72 -9.26 23.66 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.005 2.47 . . . . 0.0 111.538 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m -97.62 136.05 38.57 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.972 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.38 -57.97 10.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.577 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -38.17 90.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.355 -172.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 72.5 mm-40 -62.26 -37.56 85.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.632 0.253 . . . . 0.0 110.813 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.91 79.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.42 -42.77 82.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.178 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 63' ' ' GLU . 9.3 ptm180 -73.58 -34.12 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.308 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.615 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 5.3 t90 -63.57 -53.58 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' OE2' ' HA2' ' A' ' 23' ' ' GLY . 7.5 tp10 -51.13 -55.3 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.386 174.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.43 -39.27 72.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.138 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' HIS . 20.9 mm-40 -76.05 -36.19 59.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 67' ' ' TRP . 60.8 t -70.72 -27.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.317 0.579 . . . . 0.0 109.936 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -71.69 -28.09 63.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.877 170.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -77.42 -46.69 21.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.187 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 78' ' ' LYS . 1.8 pp -71.51 150.57 44.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.37 0.605 . . . . 0.0 112.336 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -76.95 178.6 6.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -59.22 -42.42 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 -178.695 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.47 -42.4 87.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 82.8 tttt -79.02 -28.37 43.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.95 -39.87 95.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.555 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 51.3 mt-10 -64.74 -44.57 89.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.263 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.95 -36.5 79.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.977 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -45.46 89.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.586 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.35 -27.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.451 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.609 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 m120 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.659 ' HA ' ' HB ' ' A' ' 26' ' ' THR . 21.8 m-70 -92.06 119.69 31.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.431 ' HD2' HG23 ' A' ' 25' ' ' THR . 10.3 m-85 -102.4 127.85 49.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -173.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 t -109.52 107.34 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 23' ' ' GLY . 34.2 p90 -112.89 130.35 56.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 111.521 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 20' ' ' TRP . 8.5 mm -104.83 115.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.075 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.38 126.36 55.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.741 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 39.7 tt0 -89.9 115.98 27.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.286 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -90.68 178.64 6.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.296 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -53.17 -34.85 58.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.999 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.94 -13.13 61.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.293 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 9.96 85.1 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -93.17 141.87 27.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.745 -0.728 . . . . 0.0 109.085 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.6 m0 -102.21 125.83 49.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -91.62 122.47 34.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.354 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -95.99 98.88 10.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -97.16 146.5 18.31 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.446 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 45.4 t80 -134.67 123.36 23.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.431 HG23 ' HD2' ' A' ' 9' ' ' TYR . 13.7 t -147.87 162.01 40.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.659 ' HB ' ' HA ' ' A' ' 8' ' ' HIS . 7.3 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 0.0 110.439 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HA ' HG22 ' A' ' 32' ' ' ILE . 12.2 t70 -67.62 -39.64 84.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -173.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 ttt-85 -54.27 -37.87 65.21 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.099 0.476 . . . . 0.0 110.859 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 31' ' ' ARG . 6.6 mmt180 -66.41 -55.01 17.83 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.434 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 29' ' ' ASP . 13.9 tt -61.93 -31.68 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.963 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -60.8 -41.03 94.84 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.049 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -56.59 -46.05 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.211 0.529 . . . . 0.0 110.192 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -66.89 -51.04 60.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.831 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.25 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.068 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -178.125 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' GLU . 29.7 mtm180 -94.85 112.66 24.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.31 119.68 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.022 0.439 . . . . 0.0 110.341 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.568 HG11 HG22 ' A' ' 83' ' ' VAL . 55.7 t -86.58 -54.55 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.25 164.15 39.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 m -153.84 128.18 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.109 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -119.17 157.85 27.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.78 112.01 8.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 57.7 m-85 -117.1 129.47 25.31 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.061 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 7.5 Cg_exo -73.09 -16.4 25.43 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.708 2.272 . . . . 0.0 112.091 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 13.4 m -85.4 124.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 82.0 tttt -61.05 -54.51 43.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.272 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.12 -33.04 74.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.41 -174.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 30.9 tt0 -68.52 -42.46 78.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.069 -178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.18 74.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.5 tpp -62.16 -47.44 84.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 110.102 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.43 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.413 ' CZ3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -56.96 -59.44 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.675 -176.333 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.85 -53.55 55.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 88.4 t80 -54.74 -52.78 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.585 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 42.2 mt-10 -63.47 -44.97 92.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.341 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.571 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.4 t -63.58 -36.32 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.042 0.449 . . . . 0.0 110.687 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 56.7 tttp -54.76 -41.92 71.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.628 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.492 ' NE2' ' HA ' ' A' ' 70' ' ' GLU . 33.8 p80 -100.73 8.02 43.52 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 16.8 mt -62.07 153.66 29.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.042 0.449 . . . . 0.0 111.009 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -75.61 164.84 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.647 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -56.73 -36.3 69.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.986 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.1 ttt85 -68.28 -42.38 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HG3' HD22 ' A' ' 74' ' ' LEU . 1.5 mmtm -67.11 -39.59 86.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.59 -40.95 98.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.64 -33.51 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.667 0.27 . . . . 0.0 110.312 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.91 -41.91 97.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.112 0.482 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.625 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.568 HG22 HG11 ' A' ' 53' ' ' VAL . 42.2 t -85.15 -4.28 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.273 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.235 0.541 . . . . 0.0 110.363 175.788 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.792 0.33 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -100.26 103.87 15.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.944 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -107.4 128.09 54.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.319 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.784 HG21 ' NE1' ' A' ' 67' ' ' TRP . 48.2 t -102.97 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -103.8 128.67 51.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 20' ' ' TRP . 18.7 tt -107.21 111.14 34.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.679 0.752 . . . . 0.0 109.252 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 52' ' ' LEU . 1.8 tp -92.76 141.16 28.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.787 -176.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 27.0 tt0 -90.07 122.85 33.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 170.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -102.16 166.36 10.64 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.448 0.468 . . . . 0.0 110.95 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -60.2 -20.52 59.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -86.23 -2.4 58.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.53 -0.7 89.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.901 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -90.28 127.09 36.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 110.357 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.0 m0 -79.23 117.84 20.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 80.0 t80 -95.5 106.89 19.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 -175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 99.59 8.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.005 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.54 139.11 14.47 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.619 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -102.45 112.27 24.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.815 0.341 . . . . 0.0 110.12 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.6 m -107.74 130.14 54.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 111.368 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 C--N 1.319 -0.761 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 32' ' ' ILE . 59.7 t . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.76 -38.95 83.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.588 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -56.05 -49.12 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.321 0.581 . . . . 0.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -68.69 -52.3 32.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.261 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 28' ' ' VAL . 11.2 tt -61.86 -53.39 48.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -61.47 -49.22 77.64 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.19 -32.74 72.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.61 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.76 -50.83 61.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.345 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.77 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -143.7 -179.87 6.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -162.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 13' ' ' LEU . 53.6 tp -78.02 148.43 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.764 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 37.8 t -110.39 -54.24 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.0 166.77 27.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 46.9 m -153.12 136.62 15.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.31 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -125.58 165.52 18.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.744 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 133.8 29.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.626 0.25 . . . . 0.0 110.765 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 74.9 m-85 -130.82 131.66 23.41 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.357 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 21.6 Cg_exo -66.85 -22.01 49.76 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.789 2.326 . . . . 0.0 112.939 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -118.77 132.54 56.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' MET . 21.9 pttp -62.08 -30.37 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.844 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -61.05 -50.36 73.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.54 . . . . 0.0 110.538 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' TRP . 7.0 mm-40 -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.304 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.18 91.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.66 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 68.5 mtm -65.47 -43.64 89.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.512 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 66' ' ' ARG . 43.3 mtm180 -68.05 -40.86 82.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 109.866 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.784 ' NE1' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -55.48 -57.81 10.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.665 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.81 -44.83 86.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.822 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.37 -45.35 80.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.442 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 60.9 mt-10 -62.39 -45.74 91.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.583 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.6 t -60.48 -39.21 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.327 0.584 . . . . 0.0 110.842 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 27.0 ttmt -63.31 -25.98 68.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.166 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.33 6.69 44.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.067 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 78' ' ' LYS . 49.4 mt -81.09 143.65 32.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.046 0.45 . . . . 0.0 111.466 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -76.51 176.11 8.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.763 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 12.1 ptm180 -58.58 -43.87 89.6 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.532 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.6 ptt180 -64.5 -26.08 68.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -86.85 -39.31 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.327 -178.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.56 -42.58 91.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 109.813 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.85 -34.47 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.653 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -62.99 -50.42 70.81 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -40.58 80.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.616 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.71 -48.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.02 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.326 -177.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 2.9 p-10 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -111.69 97.26 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.401 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 98.4 m-85 -96.03 136.67 36.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.832 HG21 ' HE1' ' A' ' 67' ' ' TRP . 10.6 t -116.36 98.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.547 175.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -100.25 127.44 46.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -108.97 110.9 33.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.771 0.796 . . . . 0.0 109.377 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 52' ' ' LEU . 74.6 mt -99.58 134.75 42.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.7 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 34.3 tt0 -95.09 133.79 38.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.38 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.18 179.01 7.01 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -60.8 -30.82 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.42 166.57 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.892 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.61 37.86 1.87 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.582 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -119.18 128.35 54.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.448 ' NE1' HG21 ' A' ' 53' ' ' VAL . 2.1 m-90 -97.71 144.59 27.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.959 0.409 . . . . 0.0 111.247 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -108.61 103.62 12.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -88.62 107.04 18.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.71 116.86 5.53 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.37 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.719 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . 57.3 t80 -96.0 108.04 20.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 9' ' ' TYR . 8.9 t -119.3 134.08 55.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.427 0.632 . . . . 0.0 111.857 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 12.1 m . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.1 -47.38 61.93 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.779 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 48.1 ttt180 -54.87 -50.75 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.723 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -63.37 -56.67 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.357 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.38 -40.53 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.191 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 33' ' ' LYS . 35.7 ttmt -61.54 -41.44 97.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.154 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 31.6 mmmt -60.69 -34.93 75.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -76.41 -44.4 36.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.432 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -60.12 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.021 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.327 -176.111 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 79.8 m-85 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.0 mtm-85 -95.75 123.53 39.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.22 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -75.01 109.63 8.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.031 0.443 . . . . 0.0 109.948 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG11 HG22 ' A' ' 83' ' ' VAL . 38.9 t -79.76 -64.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.394 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.25 153.23 45.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -133.88 110.81 9.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.164 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -99.23 151.34 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.6 14.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -111.81 132.04 22.13 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.134 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.98 -3.23 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.736 2.291 . . . . 0.0 112.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.497 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . 18.9 m -117.11 129.11 55.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.581 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -60.22 -56.36 22.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.908 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.35 -33.2 75.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -173.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -56.55 -53.7 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 67' ' ' TRP . . . -70.22 -22.81 62.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.453 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.8 ttm -69.07 -51.83 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -65.54 -39.23 91.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.832 ' HE1' HG21 ' A' ' 10' ' ' VAL . 1.3 t-105 -54.65 -65.94 0.49 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.773 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.719 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 2.0 tm-20 -59.46 -42.89 93.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.306 -172.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.51 -43.93 76.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.252 0.549 . . . . 0.0 110.537 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 53.7 mt-10 -74.13 -34.48 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.522 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 67' ' ' TRP . 96.8 t -59.15 -43.43 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -58.4 -43.53 88.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.68 -10.52 59.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.011 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.7 mt -74.55 127.38 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -62.37 167.32 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -31.26 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.604 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.85 -47.31 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.737 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.93 -29.21 61.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 83' ' ' VAL . 54.0 mttp -67.0 -35.6 80.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -64.62 -33.62 76.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.299 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.92 -39.77 90.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 109.732 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.55 -35.51 80.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.626 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG22 HG11 ' A' ' 53' ' ' VAL . 87.4 t -69.53 -22.68 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.253 0.549 . . . . 0.0 110.748 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.178 0.513 . . . . 0.0 110.498 178.301 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -109.95 112.74 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -111.28 140.46 45.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.942 HG21 ' HE1' ' A' ' 67' ' ' TRP . 16.0 t -126.42 99.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.088 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HE2' ' HG1' ' A' ' 25' ' ' THR . 48.2 p90 -98.49 146.65 25.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.8 tt -123.25 114.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.875 0.845 . . . . 0.0 109.543 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.5 mt -105.8 135.45 47.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.503 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.29 127.29 35.18 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.34 177.65 8.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.637 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.78 -26.0 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.334 0.588 . . . . 0.0 109.961 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.9 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.708 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.33 46.95 2.85 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.001 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -120.24 135.28 55.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.953 0.406 . . . . 0.0 110.139 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -97.96 126.17 43.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.044 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.5 t80 -93.63 108.51 20.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.361 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.516 HG21 HG11 ' A' ' 71' ' ' VAL . 7.0 m -83.03 106.45 14.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -99.38 108.51 3.57 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.226 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -93.01 101.21 13.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.564 ' HG1' ' HE2' ' A' ' 11' ' ' TYR . 93.1 m -104.8 122.52 45.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.231 0.538 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 171.55 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.455 -0.181 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.4 -58.67 7.01 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.485 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -60.82 -37.51 82.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.436 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -65.57 -56.8 10.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.62 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -61.34 -35.98 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.446 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.18 -60.4 3.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.724 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.67 -27.44 69.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.621 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -59.9 -60.5 3.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.79 -59.58 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -167.027 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -117.75 129.79 55.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.005 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.3 tp -69.68 122.72 19.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 111.244 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.544 ' HB ' HG23 ' A' ' 12' ' ' ILE . 44.9 t -91.88 -61.1 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.716 176.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.63 167.73 26.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.661 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.406 ' OG1' HD11 ' A' ' 52' ' ' LEU . 38.9 m -150.57 130.26 13.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.092 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -118.64 156.98 28.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.867 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.96 132.37 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 52.8 m-85 -133.45 125.02 18.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.2 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 5.6 Cg_exo -78.56 -11.36 15.66 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.762 2.308 . . . . 0.0 111.588 176.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -94.73 118.66 32.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -176.139 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -60.27 -48.55 81.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.53 -43.42 90.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.832 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 86.9 tt0 -62.6 -49.26 75.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.47 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -65.23 -33.15 75.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.355 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.5 ttm -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.73 -37.72 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.251 0.548 . . . . 0.0 109.97 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.942 ' HE1' HG21 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -59.77 -59.83 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.464 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.495 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 9.6 tt0 -48.62 -48.79 39.14 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.369 0.668 . . . . 0.0 111.471 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -55.14 -42.78 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.929 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.589 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mm-40 -62.05 -40.32 95.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.368 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.637 ' HA ' ' CD1' ' A' ' 74' ' ' LEU . 39.2 t -59.41 -35.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.532 . . . . 0.0 111.102 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 89.7 mttt -70.48 -27.74 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.422 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -81.3 -31.09 33.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.637 ' CD1' ' HA ' ' A' ' 71' ' ' VAL . 67.7 mt -49.65 124.43 9.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.298 -173.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 m -75.71 -174.57 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.739 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.85 -46.91 78.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.56 0.219 . . . . 0.0 111.35 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -66.56 -38.24 86.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.383 -176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 15.2 mttm -65.06 -41.98 94.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 74' ' ' LEU . 97.9 mttt -64.32 -39.72 94.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.115 0.483 . . . . 0.0 110.009 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.57 -38.65 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -60.99 -36.61 79.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.713 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.8 mt -69.59 -32.09 70.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.292 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.56 -34.96 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.004 174.384 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 16.0 m-70 -96.28 109.54 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.551 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.9 111.57 23.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.835 0.35 . . . . 0.0 111.625 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.7 t -90.85 111.38 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 169.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.439 ' HB3' HG22 ' A' ' 55' ' ' THR . 44.9 p90 -124.51 133.73 53.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.583 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.7 tt -117.63 116.03 50.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.818 0.818 . . . . 0.0 109.422 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 52' ' ' LEU . 96.2 mt -112.13 129.16 56.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.434 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.706 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 34.6 tt0 -82.73 127.46 33.45 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -84.47 169.63 14.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.378 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -60.49 -30.92 70.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.449 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -70.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.193 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.83 -26.07 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.6 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 t -70.54 140.04 51.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.973 0.416 . . . . 0.0 111.486 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.473 ' HB3' HD11 ' A' ' 12' ' ' ILE . 48.3 m0 -91.52 122.69 34.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.8 t80 -95.85 104.68 16.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 -174.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 m -87.45 96.86 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.134 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.06 162.85 17.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.125 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -138.55 114.54 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -126.87 140.41 52.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.937 0.398 . . . . 0.0 110.092 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.406 HG21 ' CE1' ' A' ' 8' ' ' HIS . 50.7 m . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.269 0.557 . . . . 0.0 111.88 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.31 -32.1 71.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.184 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -49.68 -59.7 3.55 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.497 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 35.5 ttt180 -76.05 -46.32 29.79 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.704 -167.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 tt -60.98 -46.87 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.26 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.3 -43.45 98.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.254 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.17 -33.19 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -77.71 -39.09 45.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.64 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.401 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.268 -178.531 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HD3' ' OE2' ' A' ' 14' ' ' GLU . 3.9 ptm180 -141.49 130.39 23.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 173.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.609 HD11 HG23 ' A' ' 55' ' ' THR . 57.5 tp -74.76 125.44 28.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 39.8 t -90.32 -54.64 7.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.28 154.03 22.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.609 HG23 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -134.09 127.82 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.658 177.656 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -116.54 129.97 56.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.96 109.58 18.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 110.936 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 51.8 m-85 -112.71 126.3 28.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -78.15 -14.15 15.15 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.947 1.765 . . . . 0.0 111.6 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 6.9 m -89.78 124.97 35.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.798 -174.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 28.4 ttpp -61.18 -50.31 73.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.751 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 18.0 mp0 -55.27 -48.9 73.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.668 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 10.4 mm-40 -59.66 -58.04 10.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.707 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -67.13 -41.3 86.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.5 ttp -62.91 -40.99 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.066 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 14.5 ttp180 -69.03 -44.63 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.405 175.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.507 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -55.05 -48.29 73.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.73 -177.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HG2' ' HE2' ' A' ' 72' ' ' LYS . 31.9 tt0 -58.59 -52.94 63.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.333 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.92 -31.19 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.615 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 88.9 mt-10 -69.33 -61.06 1.94 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 74' ' ' LEU . 39.8 t -59.9 -24.4 29.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 111.262 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HE2' ' HG2' ' A' ' 68' ' ' GLU . 11.4 tppt? -63.61 -45.97 87.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.348 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -91.28 3.57 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.981 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.638 HD22 ' HG2' ' A' ' 78' ' ' LYS . 44.8 mt -74.95 -177.88 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -147.79 178.9 8.11 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.55 -53.8 6.7 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 112.431 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' A' ' 77' ' ' ARG . 14.2 ttm180 -61.68 -46.17 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.821 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.638 ' HG2' HD22 ' A' ' 74' ' ' LEU . 39.0 tptt -74.35 -31.63 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.581 0.705 . . . . 0.0 110.148 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -70.24 -31.61 69.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.012 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.08 -41.92 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.24 -37.86 67.74 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.239 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.5 -37.94 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.323 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 15.6 m120 . . . . . 0 CA--C 1.515 -0.399 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 81.8 m-70 -91.19 96.17 10.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.003 0.43 . . . . 0.0 110.688 -172.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 56' ' ' TRP . 87.7 m-85 -104.01 111.09 23.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 38.6 t -85.27 114.2 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.45 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 33.6 p90 -110.53 140.51 44.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.95 0.405 . . . . 0.0 110.512 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.9 tt -121.78 104.54 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.988 0.899 . . . . 0.0 109.351 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.58 133.23 44.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.027 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 36.0 tt0 -84.5 107.04 16.53 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.42 162.07 29.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.277 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -60.61 -32.28 71.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.28 -3.69 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.204 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.73 6.43 57.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.44 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -89.39 121.39 31.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.767 0.283 . . . . 0.0 110.72 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.759 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 28.9 m0 -76.44 124.82 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 175.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 19.8 t80 -90.94 102.23 15.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.394 -172.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -103.99 111.66 24.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.971 0.415 . . . . 0.0 111.774 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.51 154.4 24.17 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB3' HG22 ' A' ' 10' ' ' VAL . 35.0 p90 -107.68 145.39 33.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.808 0.804 . . . . 0.0 111.469 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.45 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 4.8 t -99.79 139.26 35.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.957 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.701 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.634 ' HA ' HG22 ' A' ' 32' ' ' ILE . 17.4 m-20 -72.04 -7.83 51.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.824 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -55.26 -51.11 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.558 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -69.24 -48.67 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.59 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.634 HG22 ' HA ' ' A' ' 29' ' ' ASP . 9.7 tt -61.12 -34.42 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.419 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -60.36 -47.65 85.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.972 0.415 . . . . 0.0 110.258 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -61.04 -37.77 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.501 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -61.65 -46.78 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.31 87.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.255 0.55 . . . . 0.0 111.209 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.264 -179.531 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 51.3 p90 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.586 0.708 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HE ' ' C ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -103.2 179.79 4.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.192 167.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.89 127.82 47.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 43.5 t -96.23 -54.62 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.438 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.47 166.45 33.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -143.84 130.88 20.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.8 m-90 -108.95 152.59 24.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.58 115.59 14.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.716 0.293 . . . . 0.0 111.149 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 50.2 m-85 -126.14 134.59 26.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.49 -20.11 11.11 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.453 2.102 . . . . 0.0 112.213 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 50.2 m -88.43 127.8 35.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.275 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -61.55 -44.57 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.224 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.85 -37.27 87.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.675 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 6.8 tp10 -64.02 -46.92 82.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.168 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.474 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 68.8 mtm -64.74 -43.37 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.376 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -60.43 -51.02 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.677 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 23.4 t90 -55.82 -54.88 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.846 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.676 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 24.6 tt0 -60.17 -42.81 95.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.283 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.56 -51.34 67.42 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.981 -1.008 . . . . 0.0 111.401 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.74 -52.36 64.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.366 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 74' ' ' LEU . 95.1 t -57.31 -34.88 47.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 98.0 mttt -70.35 -47.26 61.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.14 -10.28 59.78 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.437 0.637 . . . . 0.0 110.875 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.793 ' HB3' ' CG ' ' A' ' 78' ' ' LYS . 3.8 mt -66.34 141.36 58.01 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.337 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 19.6 m -77.25 153.13 34.28 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.457 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -29.39 -47.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.65 -15.84 43.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.267 0.556 . . . . 0.0 110.641 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.793 ' CG ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -64.41 -40.16 95.24 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.165 176.57 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HE3' ' HB2' ' A' ' 20' ' ' TRP . 16.0 tttp -75.98 -33.81 59.75 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -172.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.48 -43.13 91.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.645 172.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -74.12 -42.09 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 67' ' ' TRP . 19.0 tp -54.04 -47.13 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.12 -35.35 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.065 0.459 . . . . 0.0 111.155 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 0.0 110.637 179.286 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -125.45 129.51 49.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.858 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -116.59 140.91 48.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 4.2 t -107.59 115.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -111.45 143.75 41.79 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.15 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.4 tt -119.69 114.27 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.725 0.774 . . . . 0.0 109.126 174.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD21 ' HD1' ' A' ' 50' ' ' PHE . 7.0 tp -102.07 132.51 47.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.669 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 35.3 tt0 -91.26 120.07 31.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.652 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.17 170.78 9.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.492 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -46.26 -53.31 10.91 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.64 18.39 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.32 13.87 70.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.714 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -78.0 93.89 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.732 0.301 . . . . 0.0 110.295 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 12' ' ' ILE . 15.5 m0 -76.84 122.72 25.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 61.0 t80 -101.13 110.22 22.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 m -86.84 95.42 9.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.632 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.37 173.71 15.25 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.925 -173.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 67.6 t80 -111.71 141.34 45.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.702 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 26' ' ' THR . 51.9 m -150.79 145.47 25.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.089 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 25' ' ' THR . 1.5 m . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.913 0.387 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 32' ' ' ILE . 30.4 t70 -64.25 -39.35 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.31 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' NH1' HG21 ' A' ' 26' ' ' THR . 22.6 ttm180 -59.22 -40.99 87.56 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.052 171.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -73.49 -49.27 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.307 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' ASP . 14.1 tt -61.56 -47.3 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.555 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.73 -38.07 86.57 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.783 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.58 -36.81 72.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.476 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -68.76 -43.59 75.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.998 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.6 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.019 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 177.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.602 ' HD1' HD21 ' A' ' 13' ' ' LEU . 85.4 m-85 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.335 0.112 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -119.46 116.51 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 tp -81.85 110.94 17.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.833 0.349 . . . . 0.0 110.42 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 12' ' ' ILE . 18.3 t -79.57 -49.48 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.62 164.27 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.6 m -144.87 123.97 12.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.784 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -106.12 125.51 51.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.6 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.93 123.92 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.264 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 87.9 m-85 -128.52 117.48 19.9 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 16.1 Cg_exo -70.57 -4.67 15.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.759 2.306 . . . . 0.0 112.403 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -111.92 131.65 55.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.772 0.32 . . . . 0.0 110.675 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 23.0 pttp -62.2 -32.52 73.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.248 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -62.99 -51.19 67.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.139 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.06 -41.34 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.771 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.37 -48.69 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.385 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 63.9 mtt -66.49 -42.63 87.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.086 0.469 . . . . 0.0 110.842 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 66' ' ' ARG . 20.9 ttt180 -70.5 -45.96 64.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.268 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 34.5 t90 -59.53 -52.76 64.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 24' ' ' TYR . 17.6 tt0 -58.75 -48.27 81.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.438 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -52.6 -51.38 60.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.912 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 33.0 tt0 -59.78 -51.87 67.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.085 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 74' ' ' LEU . 81.1 t -61.78 -39.18 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.522 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -61.98 -30.99 71.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.469 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -96.17 4.7 52.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.31 . . . . 0.0 111.242 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' HD3' ' A' ' 78' ' ' LYS . 66.0 mt -83.15 155.71 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.418 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -74.56 159.06 32.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.79 -36.43 67.37 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.835 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 77' ' ' ARG . 9.3 ttp180 -62.0 -40.56 96.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.849 -175.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.615 ' HD3' HD22 ' A' ' 74' ' ' LEU . 53.2 tttp -82.92 -29.26 29.31 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.697 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.313 0.578 . . . . 0.0 109.569 173.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -39.76 84.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.764 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.422 ' HB3' ' HA ' ' A' ' 78' ' ' LYS . 33.6 tt0 -52.83 -48.9 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.55 -34.68 71.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.701 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.18 -36.81 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.423 . . . . 0.0 110.273 176.698 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.458 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 49.5 m-70 -129.51 110.78 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -96.95 146.01 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -172.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.4 t -120.89 111.83 33.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.142 169.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 54.8 p90 -108.38 146.86 32.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.135 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.552 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -129.1 115.68 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.752 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 52' ' ' LEU . 79.6 mt -112.66 127.23 56.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.856 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 32.6 tt0 -80.36 112.07 17.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.715 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 m -95.66 154.89 16.98 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -60.18 -19.36 53.69 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.422 0.63 . . . . 0.0 110.534 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.82 -1.06 20.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.323 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.77 8.05 73.8 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.45 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -119.29 148.53 43.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.405 ' HB3' HG12 ' A' ' 12' ' ' ILE . 10.0 m0 -92.33 126.24 37.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 175.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 73.3 t80 -91.57 101.55 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -93.11 108.3 19.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.726 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 134.49 7.85 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.337 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 20.5 t80 -82.08 135.43 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 172.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 96.0 m -144.58 131.38 20.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.19 173.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 32' ' ' ILE . 9.7 p . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 5.3 p-10 -54.57 -45.63 73.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -72.89 -37.13 67.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.12 -59.96 4.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.058 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 28' ' ' VAL . 14.3 tt -62.11 -40.41 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.208 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 37.2 tttm -61.31 -55.11 35.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.196 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.53 -39.49 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.771 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.93 -43.39 83.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.187 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.218 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.927 178.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 40.2 ttt180 -116.61 127.49 54.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 HD11 ' OG1' ' A' ' 55' ' ' THR . 56.0 tp -81.41 110.54 16.94 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.262 -173.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.552 ' HB ' HG23 ' A' ' 12' ' ' ILE . 30.1 t -85.77 -45.45 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.698 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.37 158.32 7.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.474 ' OG1' HD11 ' A' ' 52' ' ' LEU . 99.7 m -152.76 127.43 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.965 174.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.752 ' HZ2' ' CH2' ' A' ' 67' ' ' TRP . 6.5 p90 -142.69 -178.39 5.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.655 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.6 42.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 90.9 m-85 -129.5 141.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.344 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 6.8 Cg_exo -74.22 -22.85 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.456 2.104 . . . . 0.0 112.201 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -96.97 127.84 43.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 0.0 111.393 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 4.6 tmmm? -60.77 -47.88 84.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.274 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.87 -52.4 62.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.285 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.74 -43.78 92.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.901 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.78 97.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.4 ttm -68.45 -47.38 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.511 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -57.74 -46.36 84.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.752 ' CH2' ' HZ2' ' A' ' 56' ' ' TRP . 19.9 t90 -55.59 -53.56 54.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.02 -177.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -51.25 -57.65 8.26 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.324 0.583 . . . . 0.0 110.501 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 66.9 t80 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.29 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.66 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 37.0 tt0 -59.69 -44.24 93.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.612 0.244 . . . . 0.0 110.536 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 67' ' ' TRP . 88.1 t -70.12 -41.46 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.643 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 14.0 ptmm? -71.69 -14.47 62.04 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.202 0.525 . . . . 0.0 110.216 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 12.0 t-160 -95.19 -12.91 25.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 76.3 mt -72.12 162.77 28.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.204 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 t -70.92 156.77 39.19 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -59.23 -29.82 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.978 -174.641 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -68.59 -40.28 80.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.896 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 74' ' ' LEU . 14.3 mptt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -61.96 -44.11 97.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.277 0.56 . . . . 0.0 110.134 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.8 -42.95 90.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.793 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.91 -40.97 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.363 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.24 -41.42 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.95 -34.68 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 110.673 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 109.868 174.472 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.605 0.717 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 76.5 t60 -84.37 131.32 34.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.799 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -115.33 122.79 46.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.303 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.472 HG11 ' CE3' ' A' ' 67' ' ' TRP . 47.2 t -95.69 94.88 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HD1' ' CD1' ' A' ' 13' ' ' LEU . 54.5 p90 -108.6 137.81 45.93 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.805 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 20' ' ' TRP . 15.3 tt -121.58 123.11 68.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.482 0.658 . . . . 0.0 110.657 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD1' ' HD1' ' A' ' 11' ' ' TYR . 11.1 mp -107.46 123.17 48.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.803 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.88 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 36.1 tt0 -80.37 112.79 18.04 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 170.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.44 159.84 32.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -52.48 -31.28 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.0 111.024 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.96 -25.37 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.48 -2.0 27.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -83.26 127.68 33.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.554 ' HB3' HD11 ' A' ' 12' ' ' ILE . 50.3 m0 -88.76 112.71 23.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.453 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 77.5 t80 -95.1 116.94 29.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.651 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 m -86.33 110.82 19.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.913 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.19 138.09 13.67 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.914 -176.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CD2' ' HE1' ' A' ' 8' ' ' HIS . 34.1 t80 -104.15 117.17 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.268 -0.466 . . . . 0.0 109.878 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 t -139.73 139.72 36.6 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.031 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.402 178.52 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.565 0.222 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HA ' HG22 ' A' ' 32' ' ' ILE . 23.2 t70 -63.99 -44.79 91.61 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.888 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -54.39 -46.24 73.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.715 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -70.15 -51.43 31.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.241 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 29' ' ' ASP . 16.5 tt -62.58 -35.38 69.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.504 0.192 . . . . 0.0 111.454 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.82 -49.55 77.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 110.854 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 30.7 mmtp -61.7 -29.13 69.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.497 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.91 -45.98 66.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.889 0.376 . . . . 0.0 110.427 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.66 -57.84 10.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.113 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.606 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 p90 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 121.259 0.552 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.88 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 2.4 tpp180 -111.73 106.15 14.86 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.77 105.62 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 12' ' ' ILE . 40.5 t -80.74 -58.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.149 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.38 163.26 40.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.274 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -148.82 119.02 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.816 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 28.6 m-90 -105.27 128.66 53.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 8' ' ' HIS . . . -107.97 124.58 50.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.781 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 81.3 m-85 -133.18 127.62 20.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.614 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 76.5 Cg_endo -92.66 21.7 0.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.196 2.597 . . . . 0.0 112.882 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 m -119.99 138.63 53.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.037 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -60.33 -57.74 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.711 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.68 -48.1 82.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.779 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 tp10 -56.6 -46.04 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.275 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.08 65.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.321 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 44.4 ttm -63.39 -48.22 78.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.82 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.7 ttm-85 -65.05 -44.02 90.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.404 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -55.5 -52.19 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.37 -176.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -60.43 -54.7 42.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.585 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 67.8 t80 -58.71 -40.23 83.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.959 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 tt0 -64.28 -49.37 72.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.512 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 77.1 t -60.82 -34.15 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.025 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 31.5 mmtp -52.51 -43.86 65.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.127 0.489 . . . . 0.0 110.906 175.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -90.58 -3.48 57.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.282 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 47.1 mt -73.41 133.89 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.963 0.411 . . . . 0.0 110.669 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.5 t -75.72 166.87 22.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.42 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 14.3 ptt180 -48.99 -45.65 42.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.263 0.352 . . . . 0.0 111.657 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' ARG . 17.1 tpt180 -70.72 -28.47 64.75 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.064 -174.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HG2' HD22 ' A' ' 74' ' ' LEU . 18.0 tptm -78.74 -27.86 44.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.925 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.1 -38.04 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 50.8 mt-10 -65.84 -38.36 88.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.977 173.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.86 -41.15 95.34 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.44 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.48 -38.82 92.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.135 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -70.79 -18.16 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.278 0.561 . . . . 0.0 110.098 175.722 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.368 0.604 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 16.1 m120 -99.85 113.05 25.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.478 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -104.87 106.79 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.555 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 7' ' ' ASN . 92.3 m-85 -117.86 112.07 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.281 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.615 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 20.7 t -84.52 113.27 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.661 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 40.8 p90 -105.85 136.54 45.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.4 tt -121.19 115.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.849 0.833 . . . . 0.0 109.279 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 50' ' ' PHE . 94.9 mt -111.43 127.06 55.56 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.805 -174.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.679 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.7 tt0 -77.65 117.75 19.36 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.23 174.29 11.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.708 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -53.31 -32.24 47.94 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.675 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.91 -19.66 36.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.531 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.86 -4.32 39.16 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.044 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -89.31 124.38 34.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.15 0.5 . . . . 0.0 110.731 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 76.0 t80 -91.77 116.12 28.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.316 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.4 m -103.42 130.2 50.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.741 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' HA2' ' OE2' ' A' ' 68' ' ' GLU . . . -175.69 136.81 3.48 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HB3' HG22 ' A' ' 10' ' ' VAL . 4.2 p90 -101.98 137.13 40.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.536 0.668 . . . . 0.0 111.029 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.661 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 13.3 t -100.51 153.08 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 48.1 m -152.05 74.76 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 0.0 110.979 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.16 127.26 26.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.6 -24.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.585 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.36 -47.01 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.236 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -58.05 -37.84 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.692 0.282 . . . . 0.0 111.728 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.05 -58.53 5.29 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.112 0.482 . . . . 0.0 110.825 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.49 -35.55 67.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.48 -44.94 89.53 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.543 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.16 -42.5 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -67.58 -44.0 79.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.37 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 m -69.85 -33.19 71.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.41 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.94 -23.69 52.1 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.078 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 92.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 0.0 110.252 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.78 32.39 15.3 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.899 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.16 167.05 23.32 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 117.034 0.417 . . . . 0.0 110.999 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -112.26 160.19 17.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 110.835 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.96 -34.14 69.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.854 0.862 . . . . 0.0 112.097 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 m -61.32 111.57 1.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -161.0 118.11 2.32 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.581 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.89 170.07 20.84 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' GLY . 49.1 ptt85 -158.61 -47.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.411 . . . . 0.0 111.274 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' ARG . . . 139.55 -172.72 23.16 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -93.14 19.21 37.48 Favored 'Cis proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.663 -1.391 . . . . 0.0 111.793 -2.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.629 ' HB3' HD13 ' A' ' 13' ' ' LEU . 74.8 m-85 -78.97 106.98 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.622 -178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 49.4 ttt180 -92.91 114.11 26.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -72.24 116.31 12.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.142 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 12' ' ' ILE . 37.5 t -86.54 -47.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.95 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.11 171.48 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.502 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -140.47 127.98 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -114.03 115.01 26.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.711 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.29 126.01 49.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.658 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 80.7 m-85 -125.43 120.54 24.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.815 0.34 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 10.3 Cg_exo -72.72 -9.26 23.66 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.005 2.47 . . . . 0.0 111.538 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m -97.62 136.05 38.57 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.972 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.38 -57.97 10.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.577 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -38.17 90.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.355 -172.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 72.5 mm-40 -62.26 -37.56 85.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.632 0.253 . . . . 0.0 110.813 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.91 79.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.42 -42.77 82.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.178 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 63' ' ' GLU . 9.3 ptm180 -73.58 -34.12 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.308 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.615 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 5.3 t90 -63.57 -53.58 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' OE2' ' HA2' ' A' ' 23' ' ' GLY . 7.5 tp10 -51.13 -55.3 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.386 174.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.43 -39.27 72.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.138 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' HIS . 20.9 mm-40 -76.05 -36.19 59.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 67' ' ' TRP . 60.8 t -70.72 -27.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.317 0.579 . . . . 0.0 109.936 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -71.69 -28.09 63.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.877 170.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -77.42 -46.69 21.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.187 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 78' ' ' LYS . 1.8 pp -71.51 150.57 44.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.37 0.605 . . . . 0.0 112.336 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -76.95 178.6 6.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -59.22 -42.42 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 -178.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.47 -42.4 87.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 82.8 tttt -79.02 -28.37 43.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.95 -39.87 95.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.555 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 51.3 mt-10 -64.74 -44.57 89.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.263 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 80.7 mm-40 -60.95 -36.5 79.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.977 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -45.46 89.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.586 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.35 -27.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.451 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.3 m -68.97 -23.07 64.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.609 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 81' ' ' GLN . 88.6 mt -76.93 -39.02 52.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.221 176.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -163.16 119.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -15.76 3.35 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -26.0 146.76 0.01 OUTLIER Glycine 0 C--N 1.342 0.866 0 O-C-N 124.653 0.855 . . . . 0.0 115.073 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -27.8 56.3 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.163 2.575 . . . . 0.0 113.196 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.495 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.13 -8.2 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.675 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.425 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -69.87 -40.33 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.792 178.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.7 p 47.94 36.2 5.87 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.099 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.4 m -68.19 -69.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.545 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' H ' HD22 ' A' ' 96' ' ' LEU . 37.0 ttpt -170.73 -66.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.203 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.423 HD22 ' H ' ' A' ' 95' ' ' LYS . 2.8 mm? 61.79 -86.76 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.06 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.1 p -157.53 12.52 0.22 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.223 0.535 . . . . 0.0 110.473 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 m -92.93 132.9 36.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.022 -175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 177.287 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.47 ' HG3' ' OG1' ' A' ' 26' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.04 126.41 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.227 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' HA ' ' HB ' ' A' ' 26' ' ' THR . 21.8 m-70 -92.06 119.69 31.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.487 ' HE2' ' H ' ' A' ' 27' ' ' ASP . 10.3 m-85 -102.4 127.85 49.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -173.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 t -109.52 107.34 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 23' ' ' GLY . 34.2 p90 -112.89 130.35 56.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 111.521 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 20' ' ' TRP . 8.5 mm -104.83 115.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.075 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.38 126.36 55.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.741 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 39.7 tt0 -89.9 115.98 27.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.286 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -90.68 178.64 6.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.296 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.599 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 18.5 pttp -53.17 -34.85 58.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.999 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.94 -13.13 61.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.293 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 9.96 85.1 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -93.17 141.87 27.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.745 -0.728 . . . . 0.0 109.085 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.6 m0 -102.21 125.83 49.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -91.62 122.47 34.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.354 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -95.99 98.88 10.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -97.16 146.5 18.31 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.446 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 45.4 t80 -134.67 123.36 23.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.431 HG23 ' HD2' ' A' ' 9' ' ' TYR . 13.7 t -147.87 162.01 40.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.659 ' HB ' ' HA ' ' A' ' 8' ' ' HIS . 7.3 t -153.56 90.45 1.41 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 0.0 110.439 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' H ' ' HE2' ' A' ' 9' ' ' TYR . 1.8 p30 -136.62 140.45 42.83 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.727 -175.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p -64.98 -12.75 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.645 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HA ' HG22 ' A' ' 32' ' ' ILE . 12.2 t70 -67.62 -39.64 84.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -173.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 ttt-85 -54.27 -37.87 65.21 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.099 0.476 . . . . 0.0 110.859 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 31' ' ' ARG . 6.6 mmt180 -66.41 -55.01 17.83 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.434 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 29' ' ' ASP . 13.9 tt -61.93 -31.68 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.963 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -60.8 -41.03 94.84 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.049 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -56.59 -46.05 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.211 0.529 . . . . 0.0 110.192 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -66.89 -51.04 60.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.831 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.25 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.068 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -75.5 -22.31 57.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.15 -15.25 36.13 Favored Glycine 0 N--CA 1.449 -0.467 0 O-C-N 123.476 0.485 . . . . 0.0 113.898 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -62.22 -51.07 69.27 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.03 0.415 . . . . 0.0 110.132 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.36 -18.63 41.49 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.471 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 73.73 -40.3 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.273 1.029 . . . . 0.0 112.664 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -148.01 164.87 32.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.657 0.265 . . . . 0.0 111.178 -173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.36 118.01 6.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 167.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -53.06 -75.69 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.712 0.633 . . . . 0.0 111.984 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 45' ' ' ARG . 29.1 mtp85 44.13 -129.39 0.9 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.11 0.564 . . . . 0.0 112.101 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.24 -91.36 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 67.66 102.61 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.398 0.618 . . . . 0.0 111.061 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 49' ' ' PRO . . . -162.19 -161.72 12.42 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.253 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.599 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 9.7 Cg_endo -89.61 105.31 0.55 Allowed 'Cis proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.575 -1.427 . . . . 0.0 112.121 -0.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.66 101.64 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.392 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' GLU . 29.7 mtm180 -94.85 112.66 24.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.31 119.68 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.022 0.439 . . . . 0.0 110.341 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.61 HG13 ' HD3' ' A' ' 86' ' ' LYS . 55.7 t -86.58 -54.55 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.25 164.15 39.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 m -153.84 128.18 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.109 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -119.17 157.85 27.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.78 112.01 8.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 57.7 m-85 -117.1 129.47 25.31 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.061 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 7.5 Cg_exo -73.09 -16.4 25.43 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.708 2.272 . . . . 0.0 112.091 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 13.4 m -85.4 124.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 82.0 tttt -61.05 -54.51 43.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.272 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.12 -33.04 74.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.41 -174.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 30.9 tt0 -68.52 -42.46 78.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.069 -178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.18 74.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.5 tpp -62.16 -47.44 84.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 110.102 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.43 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.413 ' CZ3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -56.96 -59.44 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.675 -176.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.85 -53.55 55.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 88.4 t80 -54.74 -52.78 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.585 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 42.2 mt-10 -63.47 -44.97 92.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.341 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.571 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.4 t -63.58 -36.32 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.042 0.449 . . . . 0.0 110.687 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 56.7 tttp -54.76 -41.92 71.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.628 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.492 ' NE2' ' HA ' ' A' ' 70' ' ' GLU . 33.8 p80 -100.73 8.02 43.52 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 16.8 mt -62.07 153.66 29.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.042 0.449 . . . . 0.0 111.009 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -75.61 164.84 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.647 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -56.73 -36.3 69.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.986 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.1 ttt85 -68.28 -42.38 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HG3' HD22 ' A' ' 74' ' ' LEU . 1.5 mmtm -67.11 -39.59 86.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.59 -40.95 98.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.64 -33.51 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.667 0.27 . . . . 0.0 110.312 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.91 -41.91 97.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.112 0.482 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.625 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.568 HG22 HG11 ' A' ' 53' ' ' VAL . 42.2 t -85.15 -4.28 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.273 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 m -71.47 4.41 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.235 0.541 . . . . 0.0 110.363 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.1 mt -109.64 14.43 23.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.402 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.61 ' HD3' HG13 ' A' ' 53' ' ' VAL . 23.7 tptm -44.11 122.23 2.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.465 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.9 -39.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.18 -147.58 1.75 Allowed Glycine 0 C--N 1.335 0.475 0 O-C-N 124.484 0.755 . . . . 0.0 114.148 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.512 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 55.5 Cg_endo -97.88 -163.98 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.888 3.058 . . . . 0.0 112.645 176.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.45 65.33 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.455 0.645 . . . . 0.0 109.821 176.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 89' ' ' PRO . 4.6 mm-40 -82.59 -114.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.773 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 53.32 36.25 22.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.234 0.54 . . . . 0.0 109.752 -165.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.2 p -128.64 -27.01 2.65 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -73.37 75.67 1.38 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.709 0.766 . . . . 0.0 111.968 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 20.3 ttmm -170.28 28.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 172.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.4 mt 63.75 -79.95 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.377 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 m -174.15 25.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 64.79 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.923 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.104 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.447 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.372 0.606 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 123.33 21.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -100.26 103.87 15.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.944 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -107.4 128.09 54.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.319 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.784 HG21 ' NE1' ' A' ' 67' ' ' TRP . 48.2 t -102.97 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -103.8 128.67 51.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 20' ' ' TRP . 18.7 tt -107.21 111.14 34.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.679 0.752 . . . . 0.0 109.252 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 52' ' ' LEU . 1.8 tp -92.76 141.16 28.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.787 -176.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 27.0 tt0 -90.07 122.85 33.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 170.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -102.16 166.36 10.64 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.448 0.468 . . . . 0.0 110.95 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -60.2 -20.52 59.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -86.23 -2.4 58.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.53 -0.7 89.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.901 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -90.28 127.09 36.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 110.357 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.0 m0 -79.23 117.84 20.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 80.0 t80 -95.5 106.89 19.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 -175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 99.59 8.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.005 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.54 139.11 14.47 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.619 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -102.45 112.27 24.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.815 0.341 . . . . 0.0 110.12 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.6 m -107.74 130.14 54.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 111.368 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 6' ' ' MET . 54.5 m -144.62 71.58 1.31 Allowed 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 7.0 m-20 -135.53 125.33 25.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.789 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 32' ' ' ILE . 59.7 t -61.75 -43.07 96.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.76 -38.95 83.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.588 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 27' ' ' ASP . 11.3 mmt180 -56.05 -49.12 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.321 0.581 . . . . 0.0 111.004 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -68.69 -52.3 32.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.261 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 28' ' ' VAL . 11.2 tt -61.86 -53.39 48.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -61.47 -49.22 77.64 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.19 -32.74 72.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.61 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.76 -50.83 61.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.345 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 96' ' ' LEU . 35.6 m -69.4 -29.62 67.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.74 -65.92 2.4 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.37 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 65.7 tttt 47.89 -97.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.429 0.692 . . . . 0.0 112.397 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' A' ' 39' ' ' LYS . . . -102.53 120.65 6.89 Favored Glycine 0 C--N 1.334 0.46 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.23 97.84 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.0 112.005 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -132.52 25.29 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' ' 95' ' ' LYS . 94.2 m-85 -112.35 -175.14 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.277 -174.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.961 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.5 t -163.41 -163.04 0.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.747 ' HG3' HG23 ' A' ' 44' ' ' THR . 82.9 mtt180 71.52 171.15 0.32 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.275 0.559 . . . . 0.0 110.961 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.98 146.4 16.46 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.71 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -67.2 -43.03 83.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 178.227 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.54 175.47 17.72 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.632 -0.795 . . . . 0.0 112.519 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.38 -31.24 5.41 Favored 'Cis proline' 0 C--O 1.237 0.446 0 C-N-CA 123.272 -1.553 . . . . 0.0 112.261 -1.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.77 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.15 -175.53 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.441 -172.254 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -143.7 -179.87 6.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -162.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 13' ' ' LEU . 53.6 tp -78.02 148.43 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.764 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.612 ' O ' ' HD3' ' A' ' 89' ' ' PRO . 37.8 t -110.39 -54.24 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.0 166.77 27.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 46.9 m -153.12 136.62 15.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.31 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -125.58 165.52 18.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.744 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 133.8 29.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.626 0.25 . . . . 0.0 110.765 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 74.9 m-85 -130.82 131.66 23.41 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.357 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 21.6 Cg_exo -66.85 -22.01 49.76 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.789 2.326 . . . . 0.0 112.939 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -118.77 132.54 56.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' MET . 21.9 pttp -62.08 -30.37 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.844 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -61.05 -50.36 73.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.54 . . . . 0.0 110.538 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' TRP . 7.0 mm-40 -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.304 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.18 91.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.66 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 68.5 mtm -65.47 -43.64 89.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.512 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 66' ' ' ARG . 43.3 mtm180 -68.05 -40.86 82.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 109.866 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.784 ' NE1' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -55.48 -57.81 10.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.665 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.81 -44.83 86.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.822 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.37 -45.35 80.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.442 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 60.9 mt-10 -62.39 -45.74 91.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.583 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.6 t -60.48 -39.21 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.327 0.584 . . . . 0.0 110.842 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 27.0 ttmt -63.31 -25.98 68.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.166 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.33 6.69 44.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.067 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 78' ' ' LYS . 49.4 mt -81.09 143.65 32.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.046 0.45 . . . . 0.0 111.466 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -76.51 176.11 8.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.763 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 12.1 ptm180 -58.58 -43.87 89.6 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.532 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.6 ptt180 -64.5 -26.08 68.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -86.85 -39.31 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.327 -178.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.56 -42.58 91.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 109.813 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.85 -34.47 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.653 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -62.99 -50.42 70.81 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -40.58 80.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.616 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.71 -48.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.02 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.8 t -68.88 -15.28 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.326 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.1 tp -71.17 -47.49 57.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.296 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -76.68 158.59 30.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.315 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.43 31.08 6.29 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.691 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.18 178.17 2.4 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 121.762 -0.256 . . . . 0.0 113.079 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' A' ' 53' ' ' VAL . 60.3 Cg_endo -96.31 171.86 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.459 2.773 . . . . 0.0 111.884 172.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -88.62 -68.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.55 -153.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.562 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.961 ' HB3' ' HA ' ' A' ' 44' ' ' THR . 57.5 m-80 71.77 31.32 2.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.919 0.866 . . . . 0.0 108.877 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.2 p -83.6 34.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.37 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -65.82 90.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.062 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 96' ' ' LEU . 21.9 pttm -170.74 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.613 171.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.573 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 31.7 mt 56.13 76.52 0.28 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.356 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.0 m -91.18 63.6 5.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.627 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 t -101.27 -11.29 19.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.443 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.299 . . . . 0.0 110.889 -177.25 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 2.9 p-10 -96.06 112.35 24.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 111.003 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -111.69 97.26 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.401 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 98.4 m-85 -96.03 136.67 36.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.832 HG21 ' HE1' ' A' ' 67' ' ' TRP . 10.6 t -116.36 98.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.547 175.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -100.25 127.44 46.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -108.97 110.9 33.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.771 0.796 . . . . 0.0 109.377 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 52' ' ' LEU . 74.6 mt -99.58 134.75 42.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.7 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 34.3 tt0 -95.09 133.79 38.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.38 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.18 179.01 7.01 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -60.8 -30.82 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.42 166.57 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.892 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.61 37.86 1.87 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.582 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -119.18 128.35 54.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.448 ' NE1' HG21 ' A' ' 53' ' ' VAL . 2.1 m-90 -97.71 144.59 27.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.959 0.409 . . . . 0.0 111.247 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -108.61 103.62 12.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -88.62 107.04 18.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.71 116.86 5.53 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.37 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.719 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . 57.3 t80 -96.0 108.04 20.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 9' ' ' TYR . 8.9 t -119.3 134.08 55.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.427 0.632 . . . . 0.0 111.857 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 12.1 m -129.15 72.34 1.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -135.82 100.02 4.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.075 -165.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -61.59 -44.32 98.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.1 -47.38 61.93 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.779 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 48.1 ttt180 -54.87 -50.75 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.723 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -63.37 -56.67 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.357 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.38 -40.53 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.191 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 33' ' ' LYS . 35.7 ttmt -61.54 -41.44 97.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.154 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 31.6 mmmt -60.69 -34.93 75.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -76.41 -44.4 36.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.432 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -60.12 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.021 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.8 m -74.55 -29.04 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.327 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.0 -11.9 84.41 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.371 -173.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 111.85 4.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.115 0.457 . . . . 0.0 110.022 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.42 -51.79 0.83 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.18 129.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.585 0.707 . . . . 0.0 112.469 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -82.08 -12.67 58.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.487 ' O ' HG22 ' A' ' 44' ' ' THR . 80.8 t80 70.11 -74.71 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.127 0.892 . . . . 0.0 111.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 43' ' ' TYR . 2.9 t 50.8 -170.6 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.284 1.034 . . . . 0.0 112.257 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 45' ' ' ARG . 8.0 tpt180 -123.84 129.25 50.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.97 -98.63 0.17 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.065 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 64.48 26.38 13.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 110.319 -174.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.3 -179.16 41.06 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.65 14.9 45.77 Favored 'Cis proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.551 -1.437 . . . . 0.0 112.282 -0.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 79.8 m-85 -78.31 101.9 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.0 mtm-85 -95.75 123.53 39.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.22 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -75.01 109.63 8.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.031 0.443 . . . . 0.0 109.948 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG11 HG22 ' A' ' 83' ' ' VAL . 38.9 t -79.76 -64.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.394 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.25 153.23 45.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -133.88 110.81 9.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.164 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -99.23 151.34 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.6 14.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -111.81 132.04 22.13 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.134 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.98 -3.23 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.736 2.291 . . . . 0.0 112.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.497 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . 18.9 m -117.11 129.11 55.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.581 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -60.22 -56.36 22.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.908 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.35 -33.2 75.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -173.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -56.55 -53.7 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 67' ' ' TRP . . . -70.22 -22.81 62.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.453 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.8 ttm -69.07 -51.83 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -65.54 -39.23 91.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.832 ' HE1' HG21 ' A' ' 10' ' ' VAL . 1.3 t-105 -54.65 -65.94 0.49 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.773 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.719 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 2.0 tm-20 -59.46 -42.89 93.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.306 -172.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.51 -43.93 76.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.252 0.549 . . . . 0.0 110.537 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 53.7 mt-10 -74.13 -34.48 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.522 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 67' ' ' TRP . 96.8 t -59.15 -43.43 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -58.4 -43.53 88.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.68 -10.52 59.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.011 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.7 mt -74.55 127.38 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -62.37 167.32 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -31.26 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.604 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.85 -47.31 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.737 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.93 -29.21 61.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 83' ' ' VAL . 54.0 mttp -67.0 -35.6 80.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -64.62 -33.62 76.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.299 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.92 -39.77 90.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 109.732 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.55 -35.51 80.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.626 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG22 HG11 ' A' ' 53' ' ' VAL . 87.4 t -69.53 -22.68 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.253 0.549 . . . . 0.0 110.748 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 m -76.75 -9.89 58.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.178 0.513 . . . . 0.0 110.498 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -87.06 -14.88 40.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 56.9 tttp -71.54 143.91 49.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.44 48.59 3.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.71 165.54 0.38 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 113.913 0.325 . . . . 0.0 113.913 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -80.46 83.39 2.24 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.414 2.076 . . . . 0.0 111.576 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -163.18 104.77 0.99 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 74.27 142.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.634 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.01 27.56 14.99 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 109.189 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 t -94.19 -7.77 41.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.421 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.5 p -103.05 -96.4 0.3 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.328 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? 58.36 14.8 3.09 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.677 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 96' ' ' LEU . 2.9 mm? -73.68 77.63 1.53 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 110.142 175.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.9 p -72.81 90.82 1.45 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.268 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -56.79 137.04 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.991 -172.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.113 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.022 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -109.95 112.74 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -111.28 140.46 45.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.942 HG21 ' HE1' ' A' ' 67' ' ' TRP . 16.0 t -126.42 99.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.088 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HE2' ' HG1' ' A' ' 25' ' ' THR . 48.2 p90 -98.49 146.65 25.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.8 tt -123.25 114.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.875 0.845 . . . . 0.0 109.543 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.5 mt -105.8 135.45 47.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.503 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.29 127.29 35.18 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.34 177.65 8.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.637 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 64.5 tttp -61.78 -26.0 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.334 0.588 . . . . 0.0 109.961 173.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.9 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.708 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.33 46.95 2.85 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.001 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -120.24 135.28 55.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.953 0.406 . . . . 0.0 110.139 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -97.96 126.17 43.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.044 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.5 t80 -93.63 108.51 20.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.361 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.516 HG21 HG11 ' A' ' 71' ' ' VAL . 7.0 m -83.03 106.45 14.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -99.38 108.51 3.57 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.226 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -93.01 101.21 13.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.564 ' HG1' ' HE2' ' A' ' 11' ' ' TYR . 93.1 m -104.8 122.52 45.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.231 0.538 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 m -123.53 68.74 1.02 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 171.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.616 ' HB3' ' H ' ' A' ' 30' ' ' ARG . 2.8 m-20 -134.61 100.24 4.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.934 -171.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.38 -28.41 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 163.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.4 -58.67 7.01 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.485 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.616 ' H ' ' HB3' ' A' ' 27' ' ' ASP . 36.2 ttm-85 -60.82 -37.51 82.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.436 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -65.57 -56.8 10.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.62 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -61.34 -35.98 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.446 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.18 -60.4 3.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.724 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HG3' ' HA3' ' A' ' 38' ' ' GLY . 88.6 tttt -62.67 -27.44 69.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.621 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -59.9 -60.5 3.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.79 -59.58 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -94.17 -33.47 13.3 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -167.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.554 ' HA3' ' HG3' ' A' ' 34' ' ' LYS . . . -65.08 -31.54 81.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.081 -169.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -51.84 -62.77 1.42 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 111.898 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.12 45.57 1.35 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.609 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.45 -78.54 0.14 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.688 -0.301 . . . . 0.0 110.692 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt 52.93 71.68 0.47 Allowed 'General case' 0 CA--C 1.529 0.135 0 O-C-N 123.926 0.766 . . . . 0.0 109.8 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -72.22 -41.57 66.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.182 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 t -81.54 112.3 18.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.549 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -130.98 75.82 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.971 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.23 -42.94 48.76 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 47' ' ' ARG . 5.1 tpt85 68.0 17.09 9.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.815 0.817 . . . . 0.0 109.502 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.8 177.04 25.15 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.816 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB2' ' HB2' ' A' ' 16' ' ' LYS . 84.6 Cg_endo -90.04 5.06 68.83 Favored 'Cis proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.379 -1.509 . . . . 0.0 112.342 -2.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.11 124.28 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.417 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -117.75 129.79 55.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.005 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.3 tp -69.68 122.72 19.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 111.244 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.544 ' HB ' HG23 ' A' ' 12' ' ' ILE . 44.9 t -91.88 -61.1 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.716 176.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.63 167.73 26.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.661 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.406 ' OG1' HD11 ' A' ' 52' ' ' LEU . 38.9 m -150.57 130.26 13.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.092 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -118.64 156.98 28.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.867 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.96 132.37 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 52.8 m-85 -133.45 125.02 18.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.2 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 5.6 Cg_exo -78.56 -11.36 15.66 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.762 2.308 . . . . 0.0 111.588 176.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -94.73 118.66 32.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -176.139 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -60.27 -48.55 81.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.53 -43.42 90.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.832 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 86.9 tt0 -62.6 -49.26 75.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.47 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -65.23 -33.15 75.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.355 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.5 ttm -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.73 -37.72 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.251 0.548 . . . . 0.0 109.97 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.942 ' HE1' HG21 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -59.77 -59.83 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.464 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.495 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 9.6 tt0 -48.62 -48.79 39.14 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.369 0.668 . . . . 0.0 111.471 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -55.14 -42.78 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.929 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.589 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mm-40 -62.05 -40.32 95.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.368 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.637 ' HA ' ' CD1' ' A' ' 74' ' ' LEU . 39.2 t -59.41 -35.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.532 . . . . 0.0 111.102 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 89.7 mttt -70.48 -27.74 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.422 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -81.3 -31.09 33.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.637 ' CD1' ' HA ' ' A' ' 71' ' ' VAL . 67.7 mt -49.65 124.43 9.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.298 -173.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 m -75.71 -174.57 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.739 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.85 -46.91 78.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.56 0.219 . . . . 0.0 111.35 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -66.56 -38.24 86.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.383 -176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 15.2 mttm -65.06 -41.98 94.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 74' ' ' LEU . 97.9 mttt -64.32 -39.72 94.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.115 0.483 . . . . 0.0 110.009 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.57 -38.65 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -60.99 -36.61 79.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.713 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.8 mt -69.59 -32.09 70.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.292 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.56 -34.96 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 t -71.58 -18.81 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.004 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.3 tp -89.61 -0.97 57.87 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -57.28 135.94 56.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.666 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.48 63.83 2.96 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.309 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.66 -135.32 49.5 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.89 -43.52 15.8 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.073 1.849 . . . . 0.0 111.174 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 88.5 t80 168.33 -32.13 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.054 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -142.14 175.02 10.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -71.36 -5.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.3 p 56.21 81.85 0.12 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.588 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -71.01 79.18 0.65 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.959 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 61.1 tttt -121.18 12.68 11.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.213 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.6 mt 73.57 -4.43 2.23 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.079 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.1 p -77.26 -54.09 6.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.397 0.618 . . . . 0.0 109.765 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -90.81 104.23 16.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.917 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.445 -176.508 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.4 mtm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -87.83 120.41 29.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.787 0.327 . . . . 0.0 110.483 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 16.0 m-70 -96.28 109.54 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.551 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.9 111.57 23.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.835 0.35 . . . . 0.0 111.625 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.7 t -90.85 111.38 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 169.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' HB3' HG22 ' A' ' 55' ' ' THR . 44.9 p90 -124.51 133.73 53.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.583 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.7 tt -117.63 116.03 50.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.818 0.818 . . . . 0.0 109.422 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 52' ' ' LEU . 96.2 mt -112.13 129.16 56.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.434 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.706 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 34.6 tt0 -82.73 127.46 33.45 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -84.47 169.63 14.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.378 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -60.49 -30.92 70.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.449 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -70.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.193 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.617 ' HA2' ' CE ' ' A' ' 95' ' ' LYS . . . 179.83 -26.07 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.6 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 t -70.54 140.04 51.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.973 0.416 . . . . 0.0 111.486 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.473 ' HB3' HD11 ' A' ' 12' ' ' ILE . 48.3 m0 -91.52 122.69 34.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.8 t80 -95.85 104.68 16.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 -174.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 m -87.45 96.86 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.134 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.06 162.85 17.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.125 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -138.55 114.54 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -126.87 140.41 52.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.937 0.398 . . . . 0.0 110.092 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.406 HG21 ' CE1' ' A' ' 8' ' ' HIS . 50.7 m -145.22 78.46 1.55 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.269 0.557 . . . . 0.0 111.88 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 30' ' ' ARG . 3.8 p-10 -136.51 144.53 44.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.385 169.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.95 -29.22 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.826 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.31 -32.1 71.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.184 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 35.4 mmt180 -49.68 -59.7 3.55 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.497 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 35.5 ttt180 -76.05 -46.32 29.79 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.704 -167.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 tt -60.98 -46.87 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.26 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.3 -43.45 98.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.254 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.17 -33.19 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -77.71 -39.09 45.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.64 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.401 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 m -82.59 -22.04 34.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.268 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.76 5.17 71.02 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.595 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -68.22 104.66 1.88 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.62 -53.24 0.66 Allowed Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 61.95 32.92 17.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 112.033 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -68.44 113.87 6.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.416 ' HB3' ' H ' ' A' ' 45' ' ' ARG . 1.4 m-85 -130.98 -174.74 3.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 111.777 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 4.8 m -106.76 6.76 29.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.647 -1.161 . . . . 0.0 109.432 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' THR . 76.7 mtt85 69.5 171.99 0.3 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.292 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.63 127.48 5.44 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.335 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.8 mpt_? -115.21 -3.7 12.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.32 173.91 29.46 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.198 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -88.56 28.25 13.17 Favored 'Cis proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.841 -1.316 . . . . 0.0 112.189 -2.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -146.0 152.93 40.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HD3' ' OE2' ' A' ' 14' ' ' GLU . 3.9 ptm180 -141.49 130.39 23.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 173.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD11 HG23 ' A' ' 55' ' ' THR . 57.5 tp -74.76 125.44 28.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 39.8 t -90.32 -54.64 7.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB2' ' HD2' ' A' ' 86' ' ' LYS . . . -160.28 154.03 22.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.609 HG23 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -134.09 127.82 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.658 177.656 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -116.54 129.97 56.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.96 109.58 18.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 110.936 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 51.8 m-85 -112.71 126.3 28.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -78.15 -14.15 15.15 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.947 1.765 . . . . 0.0 111.6 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 6.9 m -89.78 124.97 35.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.798 -174.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 28.4 ttpp -61.18 -50.31 73.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.751 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 18.0 mp0 -55.27 -48.9 73.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.668 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 10.4 mm-40 -59.66 -58.04 10.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.707 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -67.13 -41.3 86.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.5 ttp -62.91 -40.99 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.066 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 14.5 ttp180 -69.03 -44.63 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.405 175.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.507 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -55.05 -48.29 73.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.73 -177.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HG2' ' HE2' ' A' ' 72' ' ' LYS . 31.9 tt0 -58.59 -52.94 63.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.333 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.92 -31.19 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.615 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 88.9 mt-10 -69.33 -61.06 1.94 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 74' ' ' LEU . 39.8 t -59.9 -24.4 29.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 111.262 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HE2' ' HG2' ' A' ' 68' ' ' GLU . 11.4 tppt? -63.61 -45.97 87.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.348 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -91.28 3.57 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.981 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.638 HD22 ' HG2' ' A' ' 78' ' ' LYS . 44.8 mt -74.95 -177.88 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -147.79 178.9 8.11 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.55 -53.8 6.7 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 112.431 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' A' ' 77' ' ' ARG . 14.2 ttm180 -61.68 -46.17 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.821 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.638 ' HG2' HD22 ' A' ' 74' ' ' LEU . 39.0 tptt -74.35 -31.63 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.581 0.705 . . . . 0.0 110.148 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -70.24 -31.61 69.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.012 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.08 -41.92 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.52 ' HG2' HD13 ' A' ' 85' ' ' LEU . 11.8 tt0 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.24 -37.86 67.74 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.239 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.5 -37.94 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -57.06 -37.25 71.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 81' ' ' GLN . 8.0 mp -67.43 -27.34 66.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.221 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HD2' ' HB2' ' A' ' 54' ' ' ALA . 64.9 tttp -75.34 -32.37 60.87 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.195 176.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.73 -26.11 0.45 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.95 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.54 -131.48 49.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.611 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.89 109.1 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.846 2.364 . . . . 0.0 112.152 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -65.21 -37.22 86.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 109.673 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -167.06 73.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' C ' ' H ' ' A' ' 94' ' ' THR . 95.8 m-20 67.14 -61.03 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.568 -168.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 p 61.13 -12.59 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.958 1.303 . . . . 0.0 114.272 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 92' ' ' ASN . 29.8 m 73.98 134.12 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' CE ' ' HA2' ' A' ' 18' ' ' GLY . 55.4 tttm 74.32 87.99 0.09 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.509 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 97' ' ' SER . 3.9 mm? -90.64 10.79 24.31 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.446 167.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 70.8 m 76.22 167.22 0.26 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.579 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.7 p -81.18 179.07 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.662 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.161 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 33.8 mtt . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.054 0.454 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 15.6 m120 -105.69 107.03 17.81 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 81.8 m-70 -91.19 96.17 10.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.003 0.43 . . . . 0.0 110.688 -172.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 56' ' ' TRP . 87.7 m-85 -104.01 111.09 23.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 38.6 t -85.27 114.2 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.45 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 33.6 p90 -110.53 140.51 44.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.95 0.405 . . . . 0.0 110.512 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.9 tt -121.78 104.54 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.988 0.899 . . . . 0.0 109.351 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.58 133.23 44.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.027 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 36.0 tt0 -84.5 107.04 16.53 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.42 162.07 29.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.277 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 55.2 tttp -60.61 -32.28 71.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.28 -3.69 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.204 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.73 6.43 57.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.44 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -89.39 121.39 31.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.767 0.283 . . . . 0.0 110.72 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.759 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 28.9 m0 -76.44 124.82 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 175.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 19.8 t80 -90.94 102.23 15.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.394 -172.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -103.99 111.66 24.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.971 0.415 . . . . 0.0 111.774 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.51 154.4 24.17 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB3' HG22 ' A' ' 10' ' ' VAL . 35.0 p90 -107.68 145.39 33.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.808 0.804 . . . . 0.0 111.469 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.45 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 4.8 t -99.79 139.26 35.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.957 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -154.09 57.89 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -136.48 152.11 50.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.732 -173.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.9 p -61.58 -22.07 27.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.634 ' HA ' HG22 ' A' ' 32' ' ' ILE . 17.4 m-20 -72.04 -7.83 51.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.824 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -55.26 -51.11 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.558 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -69.24 -48.67 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.59 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.634 HG22 ' HA ' ' A' ' 29' ' ' ASP . 9.7 tt -61.12 -34.42 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.419 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -60.36 -47.65 85.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.972 0.415 . . . . 0.0 110.258 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -61.04 -37.77 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.501 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -61.65 -46.78 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.31 87.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.255 0.55 . . . . 0.0 111.209 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m -76.3 -10.73 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.264 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.1 7.54 10.1 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.443 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? 73.34 77.48 0.14 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.484 0.659 . . . . 0.0 109.249 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.53 -141.21 8.52 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.285 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 61.2 -91.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.183 0.593 . . . . 0.0 111.813 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -122.21 114.03 20.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 0.0 110.345 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -83.85 121.08 26.85 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.713 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -158.44 15.03 0.2 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 42.18 -156.25 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.9 0.88 . . . . 0.0 112.188 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 31.89 74.6 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.297 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -97.2 73.37 2.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.649 . . . . 0.0 109.948 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.23 -161.22 27.9 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.747 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HB2' ' HB2' ' A' ' 16' ' ' LYS . 72.3 Cg_endo -104.47 28.91 8.9 Favored 'Cis proline' 0 N--CA 1.456 -0.704 0 CA-C-N 118.985 1.393 . . . . 0.0 111.899 -4.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 51.3 p90 -79.8 148.13 31.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.586 0.708 . . . . 0.0 112.578 -171.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HE ' ' C ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -103.2 179.79 4.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.192 167.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.89 127.82 47.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 43.5 t -96.23 -54.62 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.438 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.47 166.45 33.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -143.84 130.88 20.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.8 m-90 -108.95 152.59 24.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.58 115.59 14.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.716 0.293 . . . . 0.0 111.149 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 50.2 m-85 -126.14 134.59 26.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.49 -20.11 11.11 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.453 2.102 . . . . 0.0 112.213 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 50.2 m -88.43 127.8 35.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.275 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -61.55 -44.57 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.224 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.85 -37.27 87.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.675 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 6.8 tp10 -64.02 -46.92 82.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.168 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.474 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 68.8 mtm -64.74 -43.37 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.376 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -60.43 -51.02 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.677 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 23.4 t90 -55.82 -54.88 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.846 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.676 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 24.6 tt0 -60.17 -42.81 95.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.283 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.56 -51.34 67.42 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.981 -1.008 . . . . 0.0 111.401 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.74 -52.36 64.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.366 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 74' ' ' LEU . 95.1 t -57.31 -34.88 47.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 98.0 mttt -70.35 -47.26 61.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.14 -10.28 59.78 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.437 0.637 . . . . 0.0 110.875 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.793 ' HB3' ' CG ' ' A' ' 78' ' ' LYS . 3.8 mt -66.34 141.36 58.01 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.337 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 19.6 m -77.25 153.13 34.28 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.457 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -29.39 -47.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.65 -15.84 43.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.267 0.556 . . . . 0.0 110.641 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.793 ' CG ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -64.41 -40.16 95.24 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.165 176.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HE3' ' HB2' ' A' ' 20' ' ' TRP . 16.0 tttp -75.98 -33.81 59.75 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -172.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.48 -43.13 91.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.645 172.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -74.12 -42.09 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 67' ' ' TRP . 19.0 tp -54.04 -47.13 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.12 -35.35 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.065 0.459 . . . . 0.0 111.155 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -69.68 -18.67 63.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 0.0 110.637 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tt -88.11 -17.79 30.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.364 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -161.95 97.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 140.62 -21.9 2.7 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.9 146.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.069 -0.566 . . . . 0.0 114.071 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.656 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 90.3 Cg_endo -85.31 93.13 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.857 2.372 . . . . 0.0 112.98 -178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -81.02 -24.7 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.74 -14.78 17.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.141 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -87.53 34.72 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.543 0.687 . . . . 0.0 109.367 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 p -65.97 -32.47 73.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.317 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -141.78 143.74 33.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.464 -1.244 . . . . 0.0 108.434 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 61.4 tttp -90.01 -0.26 57.49 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 95' ' ' LYS . 7.3 mp 69.77 -80.63 0.04 OUTLIER 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -174.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.4 m -159.71 -73.98 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -171.66 150.18 2.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 110.491 177.786 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.414 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 23.2 mmt . . . . . 0 C--O 1.235 0.317 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 1.126 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 17.4 m-80 -90.73 148.45 22.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -125.45 129.51 49.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.858 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.765 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 90.3 m-85 -116.59 140.91 48.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 4.2 t -107.59 115.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -111.45 143.75 41.79 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.15 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.4 tt -119.69 114.27 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.725 0.774 . . . . 0.0 109.126 174.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD21 ' HD1' ' A' ' 50' ' ' PHE . 7.0 tp -102.07 132.51 47.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.669 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 35.3 tt0 -91.26 120.07 31.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.652 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.17 170.78 9.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.492 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' H ' ' HD2' ' A' ' 49' ' ' PRO . 49.2 tttm -46.26 -53.31 10.91 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -175.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.64 18.39 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.32 13.87 70.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.714 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -78.0 93.89 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.732 0.301 . . . . 0.0 110.295 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 12' ' ' ILE . 15.5 m0 -76.84 122.72 25.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 61.0 t80 -101.13 110.22 22.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 m -86.84 95.42 9.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.632 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.37 173.71 15.25 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.925 -173.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 67.6 t80 -111.71 141.34 45.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.702 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 26' ' ' THR . 51.9 m -150.79 145.47 25.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.089 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.656 HG22 ' H ' ' A' ' 27' ' ' ASP . 1.5 m -73.59 -176.89 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.126 ' HB3' ' HB2' ' A' ' 7' ' ' ASN . 1.8 p30 -66.44 147.46 53.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.406 0.622 . . . . 0.0 111.316 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.24 -23.08 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 32' ' ' ILE . 30.4 t70 -64.25 -39.35 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.31 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' NH1' HG21 ' A' ' 26' ' ' THR . 22.6 ttm180 -59.22 -40.99 87.56 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.052 171.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -73.49 -49.27 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.307 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' ASP . 14.1 tt -61.56 -47.3 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.555 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.73 -38.07 86.57 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.783 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.58 -36.81 72.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.476 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -68.76 -43.59 75.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.998 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.6 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.019 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 m -68.76 -32.19 71.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.82 -22.26 64.34 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.541 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 69.81 -65.94 0.29 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.56 0.744 . . . . 0.0 111.63 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.95 -67.5 1.9 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.797 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.07 89.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.211 0.604 . . . . 0.0 111.986 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.49 142.22 44.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.896 0.379 . . . . 0.0 110.689 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -72.04 97.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.61 0.719 . . . . 0.0 111.435 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -112.68 99.38 7.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 45' ' ' ARG . 24.0 mtp85 -85.66 164.73 17.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.705 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.58 -128.41 0.52 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.026 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 47' ' ' ARG . 16.1 tpt180 -107.12 -71.98 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.476 -0.426 . . . . 0.0 110.159 178.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.99 -175.31 15.77 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.135 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HD2' ' H ' ' A' ' 16' ' ' LYS . 15.9 Cg_exo -70.88 161.06 90.27 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.673 -1.386 . . . . 0.0 112.164 -4.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.602 ' HD1' HD21 ' A' ' 13' ' ' LEU . 85.4 m-85 -115.8 100.06 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.097 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -119.46 116.51 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 tp -81.85 110.94 17.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.833 0.349 . . . . 0.0 110.42 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 12' ' ' ILE . 18.3 t -79.57 -49.48 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.62 164.27 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.6 m -144.87 123.97 12.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.784 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -106.12 125.51 51.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.6 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.93 123.92 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.264 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 87.9 m-85 -128.52 117.48 19.9 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 16.1 Cg_exo -70.57 -4.67 15.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.759 2.306 . . . . 0.0 112.403 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -111.92 131.65 55.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.772 0.32 . . . . 0.0 110.675 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 23.0 pttp -62.2 -32.52 73.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.248 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -62.99 -51.19 67.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.139 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.06 -41.34 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.771 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.37 -48.69 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.385 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 63.9 mtt -66.49 -42.63 87.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.086 0.469 . . . . 0.0 110.842 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 66' ' ' ARG . 20.9 ttt180 -70.5 -45.96 64.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.268 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 34.5 t90 -59.53 -52.76 64.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 24' ' ' TYR . 17.6 tt0 -58.75 -48.27 81.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.438 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -52.6 -51.38 60.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.912 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 33.0 tt0 -59.78 -51.87 67.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.085 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 74' ' ' LEU . 81.1 t -61.78 -39.18 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.522 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -61.98 -30.99 71.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.469 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -96.17 4.7 52.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.31 . . . . 0.0 111.242 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' HD3' ' A' ' 78' ' ' LYS . 66.0 mt -83.15 155.71 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.418 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -74.56 159.06 32.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.79 -36.43 67.37 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.835 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 77' ' ' ARG . 9.3 ttp180 -62.0 -40.56 96.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.849 -175.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.615 ' HD3' HD22 ' A' ' 74' ' ' LEU . 53.2 tttp -82.92 -29.26 29.31 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.697 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.313 0.578 . . . . 0.0 109.569 173.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -39.76 84.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.764 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.635 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 33.6 tt0 -52.83 -48.9 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.55 -34.68 71.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.701 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.18 -36.81 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 m -64.09 -25.87 68.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.423 . . . . 0.0 110.273 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 81' ' ' GLN . 95.8 mt -68.19 -21.86 64.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.004 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -76.7 67.4 2.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.148 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.48 0.83 71.57 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.66 171.86 1.09 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.823 -0.689 . . . . 0.0 112.759 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 44.4 Cg_endo -73.83 -29.61 10.21 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.088 1.859 . . . . 0.0 111.758 176.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 89' ' ' PRO . 27.9 p90 -160.61 21.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.657 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 62.25 -80.22 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.618 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -169.85 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 p 51.51 22.53 1.55 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.84 0.856 . . . . 0.0 113.181 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 m -107.56 -3.03 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.274 0.559 . . . . 0.0 110.098 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt 68.69 4.75 4.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.455 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.0 mt 69.81 -64.45 0.35 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.582 0.753 . . . . 0.0 111.051 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m 64.27 17.44 10.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.275 0.63 . . . . 0.0 111.293 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -115.77 129.58 56.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 178.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptp . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -85.1 152.97 23.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.596 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.458 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 49.5 m-70 -129.51 110.78 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -96.95 146.01 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -172.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.4 t -120.89 111.83 33.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.142 169.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 54.8 p90 -108.38 146.86 32.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.135 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.552 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -129.1 115.68 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.752 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 52' ' ' LEU . 79.6 mt -112.66 127.23 56.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.856 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 32.6 tt0 -80.36 112.07 17.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.715 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 m -95.66 154.89 16.98 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -60.18 -19.36 53.69 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.422 0.63 . . . . 0.0 110.534 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.82 -1.06 20.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.323 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.77 8.05 73.8 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.45 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -119.29 148.53 43.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.405 ' HB3' HG12 ' A' ' 12' ' ' ILE . 10.0 m0 -92.33 126.24 37.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 175.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 73.3 t80 -91.57 101.55 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -93.11 108.3 19.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.726 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 134.49 7.85 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.337 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 20.5 t80 -82.08 135.43 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 172.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 96.0 m -144.58 131.38 20.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.19 173.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -77.76 -178.31 5.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.819 -179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.653 ' H ' HG22 ' A' ' 26' ' ' THR . 3.7 t70 -69.02 -176.28 0.85 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.948 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 32' ' ' ILE . 9.7 p -55.89 -17.26 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.731 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 5.3 p-10 -54.57 -45.63 73.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -72.89 -37.13 67.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.12 -59.96 4.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.058 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 28' ' ' VAL . 14.3 tt -62.11 -40.41 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.208 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 37.2 tttm -61.31 -55.11 35.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.196 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.53 -39.49 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.771 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.93 -43.39 83.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.187 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.218 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m -69.08 -42.1 76.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.927 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.58 89.52 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.244 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttp 46.93 83.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.453 0.644 . . . . 0.0 111.181 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 -37.3 3.71 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.16 92.72 6.33 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 43.7 mtmt -91.59 -21.13 20.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.807 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 93.9 m-85 69.64 114.82 0.04 OUTLIER 'General case' 0 C--O 1.231 0.109 0 O-C-N 124.447 1.092 . . . . 0.0 109.84 -173.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -77.62 38.59 0.25 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.159 -171.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 11.1 mtm180 70.94 -59.28 0.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.832 0.853 . . . . 0.0 112.182 174.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.53 -86.27 0.75 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -168.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 55.81 74.39 0.38 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.203 0.525 . . . . 0.0 112.315 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.53 140.78 6.91 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.644 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -92.77 129.3 5.72 Favored 'Cis proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.782 -1.341 . . . . 0.0 111.703 -6.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -144.14 130.2 19.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.127 0.489 . . . . 0.0 111.262 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 40.2 ttt180 -116.61 127.49 54.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 HD11 ' OG1' ' A' ' 55' ' ' THR . 56.0 tp -81.41 110.54 16.94 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.262 -173.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.552 ' HB ' HG23 ' A' ' 12' ' ' ILE . 30.1 t -85.77 -45.45 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.698 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.37 158.32 7.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.474 ' OG1' HD11 ' A' ' 52' ' ' LEU . 99.7 m -152.76 127.43 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.965 174.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.752 ' HZ2' ' CH2' ' A' ' 67' ' ' TRP . 6.5 p90 -142.69 -178.39 5.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.655 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.6 42.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 90.9 m-85 -129.5 141.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.344 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 6.8 Cg_exo -74.22 -22.85 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.456 2.104 . . . . 0.0 112.201 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -96.97 127.84 43.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 0.0 111.393 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 4.6 tmmm? -60.77 -47.88 84.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.274 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.87 -52.4 62.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.285 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.74 -43.78 92.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.901 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.78 97.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.4 ttm -68.45 -47.38 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.511 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -57.74 -46.36 84.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.752 ' CH2' ' HZ2' ' A' ' 56' ' ' TRP . 19.9 t90 -55.59 -53.56 54.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.02 -177.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -51.25 -57.65 8.26 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.324 0.583 . . . . 0.0 110.501 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 66.9 t80 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.29 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.66 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 37.0 tt0 -59.69 -44.24 93.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.612 0.244 . . . . 0.0 110.536 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 67' ' ' TRP . 88.1 t -70.12 -41.46 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.643 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 14.0 ptmm? -71.69 -14.47 62.04 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.202 0.525 . . . . 0.0 110.216 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 12.0 t-160 -95.19 -12.91 25.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 76.3 mt -72.12 162.77 28.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.204 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 t -70.92 156.77 39.19 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -59.23 -29.82 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.978 -174.641 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -68.59 -40.28 80.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.896 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 74' ' ' LEU . 14.3 mptt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -61.96 -44.11 97.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.277 0.56 . . . . 0.0 110.134 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.8 -42.95 90.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.793 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -60.91 -40.97 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.363 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.24 -41.42 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.95 -34.68 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 110.673 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.2 m -68.09 -25.26 65.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 109.868 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.06 16.65 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.272 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -55.39 156.1 4.71 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.23 28.89 1.67 Allowed Glycine 0 C--O 1.226 -0.362 0 CA-C-O 119.349 -0.695 . . . . 0.0 113.803 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -24.18 -108.67 0.0 OUTLIER Glycine 0 N--CA 1.47 0.927 0 C-N-CA 124.614 1.102 . . . . 0.0 115.646 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -89.59 18.48 1.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.908 2.405 . . . . 0.0 112.323 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -149.19 96.12 2.48 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 122.055 0.931 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 40.7 tt0 -72.25 162.22 29.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.883 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 4.0 m-20 76.53 -38.45 0.32 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.981 0.912 . . . . 0.0 111.622 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 p 53.97 22.6 3.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.542 0.737 . . . . 0.0 112.835 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 t -72.62 100.73 2.86 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.778 0.799 . . . . 0.0 109.973 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -139.82 15.6 2.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.667 -176.719 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.47 90.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 O-C-N 124.226 0.954 . . . . 0.0 113.512 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 m -158.9 87.1 0.85 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.167 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.4 m -151.6 -36.76 0.13 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.422 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 175.221 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' A' ' 59' ' ' PRO . 43.7 mtm . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.948 0.404 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -79.76 84.6 5.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.605 0.717 . . . . 0.0 109.887 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 76.5 t60 -84.37 131.32 34.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.799 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -115.33 122.79 46.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.303 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG11 ' CE3' ' A' ' 67' ' ' TRP . 47.2 t -95.69 94.88 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HD1' ' CD1' ' A' ' 13' ' ' LEU . 54.5 p90 -108.6 137.81 45.93 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.805 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 20' ' ' TRP . 15.3 tt -121.58 123.11 68.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.482 0.658 . . . . 0.0 110.657 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD1' ' HD1' ' A' ' 11' ' ' TYR . 11.1 mp -107.46 123.17 48.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.803 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.88 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 36.1 tt0 -80.37 112.79 18.04 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 170.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.44 159.84 32.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -52.48 -31.28 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.0 111.024 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.96 -25.37 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.48 -2.0 27.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -83.26 127.68 33.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.554 ' HB3' HD11 ' A' ' 12' ' ' ILE . 50.3 m0 -88.76 112.71 23.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.453 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 77.5 t80 -95.1 116.94 29.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.651 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 m -86.33 110.82 19.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.913 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.19 138.09 13.67 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.914 -176.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CD2' ' HE1' ' A' ' 8' ' ' HIS . 34.1 t80 -104.15 117.17 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.268 -0.466 . . . . 0.0 109.878 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 t -139.73 139.72 36.6 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.031 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -148.34 76.74 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.402 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -135.54 111.2 9.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.448 . . . . 0.0 111.292 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.87 -36.39 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.904 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HA ' HG22 ' A' ' 32' ' ' ILE . 23.2 t70 -63.99 -44.79 91.61 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.888 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -54.39 -46.24 73.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.715 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -70.15 -51.43 31.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.241 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 29' ' ' ASP . 16.5 tt -62.58 -35.38 69.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.504 0.192 . . . . 0.0 111.454 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.82 -49.55 77.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 110.854 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 30.7 mmtp -61.7 -29.13 69.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.497 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.91 -45.98 66.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.889 0.376 . . . . 0.0 110.427 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.66 -57.84 10.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.113 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 m -85.64 -48.69 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.62 -45.65 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.956 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt 69.61 -64.68 0.33 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.39 0.676 . . . . 0.0 111.433 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.62 2.96 3.48 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.413 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.98 108.6 2.25 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 8.3 ptpp? -108.54 -168.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.848 -173.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -76.14 40.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.336 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 m -69.46 94.47 0.75 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.557 0.218 . . . . 0.0 111.006 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? 64.9 90.84 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.771 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.78 -159.72 32.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.636 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.57 -61.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.581 ' HA2' ' CD1' ' A' ' 50' ' ' PHE . . . 116.87 -161.52 13.03 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.973 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -94.09 97.75 0.15 OUTLIER 'Cis proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.215 -1.577 . . . . 0.0 111.691 -1.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' HA2' ' A' ' 48' ' ' GLY . 38.2 p90 -139.03 136.73 35.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.259 0.552 . . . . 0.0 111.372 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.88 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 2.4 tpp180 -111.73 106.15 14.86 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.77 105.62 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 12' ' ' ILE . 40.5 t -80.74 -58.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.149 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.38 163.26 40.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.274 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -148.82 119.02 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.816 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 28.6 m-90 -105.27 128.66 53.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 8' ' ' HIS . . . -107.97 124.58 50.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.781 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 81.3 m-85 -133.18 127.62 20.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.614 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 6' ' ' MET . 76.5 Cg_endo -92.66 21.7 0.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.196 2.597 . . . . 0.0 112.882 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 m -119.99 138.63 53.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.037 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -60.33 -57.74 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.711 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.68 -48.1 82.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.779 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 tp10 -56.6 -46.04 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.275 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.08 65.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.321 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 44.4 ttm -63.39 -48.22 78.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.82 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.7 ttm-85 -65.05 -44.02 90.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.404 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -55.5 -52.19 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.37 -176.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -60.43 -54.7 42.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.585 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 67.8 t80 -58.71 -40.23 83.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.959 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 tt0 -64.28 -49.37 72.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.512 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 77.1 t -60.82 -34.15 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.025 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 31.5 mmtp -52.51 -43.86 65.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.127 0.489 . . . . 0.0 110.906 175.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -90.58 -3.48 57.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.282 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 47.1 mt -73.41 133.89 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.963 0.411 . . . . 0.0 110.669 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.5 t -75.72 166.87 22.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.42 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 14.3 ptt180 -48.99 -45.65 42.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.263 0.352 . . . . 0.0 111.657 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' ARG . 17.1 tpt180 -70.72 -28.47 64.75 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.064 -174.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HG2' HD22 ' A' ' 74' ' ' LEU . 18.0 tptm -78.74 -27.86 44.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.925 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.1 -38.04 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 50.8 mt-10 -65.84 -38.36 88.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.977 173.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.86 -41.15 95.34 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.44 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.48 -38.82 92.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.135 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -70.79 -18.16 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 m -68.6 -5.95 22.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.278 0.561 . . . . 0.0 110.098 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.43 21.78 15.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.467 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 53' ' ' VAL . 4.6 tmtm? -159.81 140.16 11.92 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.284 0.564 . . . . 0.0 110.33 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.94 -33.68 5.48 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.184 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.28 -118.46 15.0 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.665 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -86.41 104.11 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.997 2.464 . . . . 0.0 113.608 -175.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -130.19 32.31 4.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.94 147.02 39.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.35 -168.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.4 t30 72.04 -50.98 0.7 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.775 0.83 . . . . 0.0 111.105 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -89.06 17.79 5.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.563 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -58.71 -68.59 0.25 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 54.9 tttm -163.32 19.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.712 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.6 mt 57.52 33.47 23.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.647 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.1 t -91.77 -72.34 0.59 Allowed 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 52.17 46.01 27.37 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.911 0.757 . . . . 0.0 110.205 174.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.829 -171.307 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 16.1 m120 . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.646 0.26 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -104.87 106.79 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.555 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 7' ' ' ASN . 92.3 m-85 -117.86 112.07 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.281 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.615 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 20.7 t -84.52 113.27 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.661 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 40.8 p90 -105.85 136.54 45.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.4 tt -121.19 115.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.849 0.833 . . . . 0.0 109.279 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 50' ' ' PHE . 94.9 mt -111.43 127.06 55.56 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.805 -174.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.679 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.7 tt0 -77.65 117.75 19.36 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.23 174.29 11.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.708 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -53.31 -32.24 47.94 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.675 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.91 -19.66 36.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.531 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.86 -4.32 39.16 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.044 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -89.31 124.38 34.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.15 0.5 . . . . 0.0 110.731 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 76.0 t80 -91.77 116.12 28.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.316 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.4 m -103.42 130.2 50.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.741 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' HA2' ' OE2' ' A' ' 68' ' ' GLU . . . -175.69 136.81 3.48 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HB3' HG22 ' A' ' 10' ' ' VAL . 4.2 p90 -101.98 137.13 40.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.536 0.668 . . . . 0.0 111.029 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.661 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 13.3 t -100.51 153.08 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 48.1 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 0.0 110.979 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.107 0.48 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.36 -47.01 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.236 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -58.05 -37.84 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.692 0.282 . . . . 0.0 111.728 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.05 -58.53 5.29 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.112 0.482 . . . . 0.0 110.825 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.49 -35.55 67.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.48 -44.94 89.53 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.543 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.16 -42.5 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -67.58 -44.0 79.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.37 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.41 -178.012 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.629 ' HB3' HD13 ' A' ' 13' ' ' LEU . 74.8 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.966 0.412 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 49.4 ttt180 -92.91 114.11 26.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -72.24 116.31 12.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.142 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 12' ' ' ILE . 37.5 t -86.54 -47.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.95 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.11 171.48 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.502 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -140.47 127.98 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -114.03 115.01 26.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.711 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.29 126.01 49.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.658 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 80.7 m-85 -125.43 120.54 24.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.815 0.34 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 10.3 Cg_exo -72.72 -9.26 23.66 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.005 2.47 . . . . 0.0 111.538 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m -97.62 136.05 38.57 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.972 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.38 -57.97 10.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.577 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -38.17 90.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.355 -172.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 72.5 mm-40 -62.26 -37.56 85.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.632 0.253 . . . . 0.0 110.813 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.91 79.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.42 -42.77 82.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.178 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 63' ' ' GLU . 9.3 ptm180 -73.58 -34.12 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.308 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.615 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 5.3 t90 -63.57 -53.58 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.538 ' OE2' ' HA2' ' A' ' 23' ' ' GLY . 7.5 tp10 -51.13 -55.3 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.386 174.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.43 -39.27 72.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.138 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' HIS . 20.9 mm-40 -76.05 -36.19 59.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 67' ' ' TRP . 60.8 t -70.72 -27.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.317 0.579 . . . . 0.0 109.936 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -71.69 -28.09 63.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.877 170.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -77.42 -46.69 21.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.187 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 78' ' ' LYS . 1.8 pp -71.51 150.57 44.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.37 0.605 . . . . 0.0 112.336 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -76.95 178.6 6.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -59.22 -42.42 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 -178.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.47 -42.4 87.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 82.8 tttt -79.02 -28.37 43.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.95 -39.87 95.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.555 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 51.3 mt-10 -64.74 -44.57 89.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.263 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.95 -36.5 79.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.977 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -45.46 89.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.586 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.35 -27.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.451 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.609 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 m120 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.659 ' HA ' ' HB ' ' A' ' 26' ' ' THR . 21.8 m-70 -92.06 119.69 31.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.431 ' HD2' HG23 ' A' ' 25' ' ' THR . 10.3 m-85 -102.4 127.85 49.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -173.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 t -109.52 107.34 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 23' ' ' GLY . 34.2 p90 -112.89 130.35 56.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 111.521 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 20' ' ' TRP . 8.5 mm -104.83 115.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.075 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.38 126.36 55.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.741 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 39.7 tt0 -89.9 115.98 27.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.286 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -90.68 178.64 6.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.296 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -53.17 -34.85 58.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.999 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.94 -13.13 61.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.293 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 9.96 85.1 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -93.17 141.87 27.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.745 -0.728 . . . . 0.0 109.085 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.6 m0 -102.21 125.83 49.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -91.62 122.47 34.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.354 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -95.99 98.88 10.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -97.16 146.5 18.31 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.446 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 45.4 t80 -134.67 123.36 23.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.431 HG23 ' HD2' ' A' ' 9' ' ' TYR . 13.7 t -147.87 162.01 40.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.659 ' HB ' ' HA ' ' A' ' 8' ' ' HIS . 7.3 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 0.0 110.439 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HA ' HG22 ' A' ' 32' ' ' ILE . 12.2 t70 -67.62 -39.64 84.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -173.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 ttt-85 -54.27 -37.87 65.21 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.099 0.476 . . . . 0.0 110.859 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 31' ' ' ARG . 6.6 mmt180 -66.41 -55.01 17.83 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.434 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 29' ' ' ASP . 13.9 tt -61.93 -31.68 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.963 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -60.8 -41.03 94.84 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.049 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -56.59 -46.05 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.211 0.529 . . . . 0.0 110.192 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -66.89 -51.04 60.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.831 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.25 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.068 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -178.125 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' GLU . 29.7 mtm180 -94.85 112.66 24.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.31 119.68 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.022 0.439 . . . . 0.0 110.341 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.568 HG11 HG22 ' A' ' 83' ' ' VAL . 55.7 t -86.58 -54.55 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.25 164.15 39.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 m -153.84 128.18 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.109 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -119.17 157.85 27.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.78 112.01 8.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 57.7 m-85 -117.1 129.47 25.31 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.061 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 7.5 Cg_exo -73.09 -16.4 25.43 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.708 2.272 . . . . 0.0 112.091 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 13.4 m -85.4 124.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 82.0 tttt -61.05 -54.51 43.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.272 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.12 -33.04 74.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.41 -174.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 30.9 tt0 -68.52 -42.46 78.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.069 -178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.18 74.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.5 tpp -62.16 -47.44 84.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 110.102 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.43 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.413 ' CZ3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -56.96 -59.44 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.675 -176.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.85 -53.55 55.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 88.4 t80 -54.74 -52.78 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.585 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 42.2 mt-10 -63.47 -44.97 92.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.341 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.571 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.4 t -63.58 -36.32 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.042 0.449 . . . . 0.0 110.687 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 56.7 tttp -54.76 -41.92 71.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.628 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.492 ' NE2' ' HA ' ' A' ' 70' ' ' GLU . 33.8 p80 -100.73 8.02 43.52 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 16.8 mt -62.07 153.66 29.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.042 0.449 . . . . 0.0 111.009 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -75.61 164.84 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.647 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -56.73 -36.3 69.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.986 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.1 ttt85 -68.28 -42.38 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HG3' HD22 ' A' ' 74' ' ' LEU . 1.5 mmtm -67.11 -39.59 86.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.59 -40.95 98.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.64 -33.51 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.667 0.27 . . . . 0.0 110.312 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.91 -41.91 97.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.112 0.482 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.625 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.568 HG22 HG11 ' A' ' 53' ' ' VAL . 42.2 t -85.15 -4.28 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.273 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.235 0.541 . . . . 0.0 110.363 175.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.792 0.33 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -100.26 103.87 15.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.944 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -107.4 128.09 54.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.319 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.784 HG21 ' NE1' ' A' ' 67' ' ' TRP . 48.2 t -102.97 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -103.8 128.67 51.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 20' ' ' TRP . 18.7 tt -107.21 111.14 34.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.679 0.752 . . . . 0.0 109.252 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 52' ' ' LEU . 1.8 tp -92.76 141.16 28.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.787 -176.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 27.0 tt0 -90.07 122.85 33.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 170.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -102.16 166.36 10.64 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.448 0.468 . . . . 0.0 110.95 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -60.2 -20.52 59.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -86.23 -2.4 58.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.53 -0.7 89.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.901 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -90.28 127.09 36.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 110.357 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.0 m0 -79.23 117.84 20.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 80.0 t80 -95.5 106.89 19.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 -175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 99.59 8.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.005 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.54 139.11 14.47 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.619 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -102.45 112.27 24.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.815 0.341 . . . . 0.0 110.12 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.6 m -107.74 130.14 54.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 111.368 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 C--N 1.319 -0.761 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 32' ' ' ILE . 59.7 t . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.76 -38.95 83.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.588 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -56.05 -49.12 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.321 0.581 . . . . 0.0 111.004 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -68.69 -52.3 32.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.261 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 28' ' ' VAL . 11.2 tt -61.86 -53.39 48.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -61.47 -49.22 77.64 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.19 -32.74 72.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.61 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.76 -50.83 61.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.345 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.77 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -143.7 -179.87 6.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -162.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 13' ' ' LEU . 53.6 tp -78.02 148.43 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.764 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 37.8 t -110.39 -54.24 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.0 166.77 27.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 46.9 m -153.12 136.62 15.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.31 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -125.58 165.52 18.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.744 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 133.8 29.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.626 0.25 . . . . 0.0 110.765 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 74.9 m-85 -130.82 131.66 23.41 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.357 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 21.6 Cg_exo -66.85 -22.01 49.76 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.789 2.326 . . . . 0.0 112.939 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -118.77 132.54 56.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' MET . 21.9 pttp -62.08 -30.37 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.844 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -61.05 -50.36 73.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.54 . . . . 0.0 110.538 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' TRP . 7.0 mm-40 -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.304 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.18 91.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.66 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 68.5 mtm -65.47 -43.64 89.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.512 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 66' ' ' ARG . 43.3 mtm180 -68.05 -40.86 82.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 109.866 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.784 ' NE1' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -55.48 -57.81 10.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.665 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.81 -44.83 86.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.822 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.37 -45.35 80.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.442 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 60.9 mt-10 -62.39 -45.74 91.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.583 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.6 t -60.48 -39.21 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.327 0.584 . . . . 0.0 110.842 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 27.0 ttmt -63.31 -25.98 68.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.166 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.33 6.69 44.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.067 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 78' ' ' LYS . 49.4 mt -81.09 143.65 32.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.046 0.45 . . . . 0.0 111.466 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -76.51 176.11 8.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.763 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 12.1 ptm180 -58.58 -43.87 89.6 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.532 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.6 ptt180 -64.5 -26.08 68.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -86.85 -39.31 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.327 -178.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.56 -42.58 91.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 109.813 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.85 -34.47 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.653 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -62.99 -50.42 70.81 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -40.58 80.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.616 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.71 -48.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.02 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.326 -177.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 5.5 p30 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -111.69 97.26 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.401 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 98.4 m-85 -96.03 136.67 36.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.832 HG21 ' HE1' ' A' ' 67' ' ' TRP . 10.6 t -116.36 98.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.547 175.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -100.25 127.44 46.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -108.97 110.9 33.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.771 0.796 . . . . 0.0 109.377 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 52' ' ' LEU . 74.6 mt -99.58 134.75 42.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.7 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 34.3 tt0 -95.09 133.79 38.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.38 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.18 179.01 7.01 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -60.8 -30.82 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.42 166.57 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.892 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.61 37.86 1.87 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.582 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -119.18 128.35 54.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.448 ' NE1' HG21 ' A' ' 53' ' ' VAL . 2.1 m-90 -97.71 144.59 27.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.959 0.409 . . . . 0.0 111.247 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -108.61 103.62 12.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -88.62 107.04 18.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.71 116.86 5.53 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.37 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.719 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . 57.3 t80 -96.0 108.04 20.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 9' ' ' TYR . 8.9 t -119.3 134.08 55.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.427 0.632 . . . . 0.0 111.857 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 12.1 m . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.1 -47.38 61.93 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.779 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 48.1 ttt180 -54.87 -50.75 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.723 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -63.37 -56.67 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.357 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.38 -40.53 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.191 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 33' ' ' LYS . 35.7 ttmt -61.54 -41.44 97.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.154 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 31.6 mmmt -60.69 -34.93 75.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -76.41 -44.4 36.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.432 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -60.12 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.021 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.327 -176.111 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 79.8 m-85 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.0 mtm-85 -95.75 123.53 39.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.22 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -75.01 109.63 8.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.031 0.443 . . . . 0.0 109.948 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG11 HG22 ' A' ' 83' ' ' VAL . 38.9 t -79.76 -64.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.394 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.25 153.23 45.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -133.88 110.81 9.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.164 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -99.23 151.34 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.6 14.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -111.81 132.04 22.13 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.134 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.98 -3.23 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.736 2.291 . . . . 0.0 112.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.497 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . 18.9 m -117.11 129.11 55.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.581 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -60.22 -56.36 22.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.908 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.35 -33.2 75.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -173.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -56.55 -53.7 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 67' ' ' TRP . . . -70.22 -22.81 62.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.453 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.8 ttm -69.07 -51.83 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -65.54 -39.23 91.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.832 ' HE1' HG21 ' A' ' 10' ' ' VAL . 1.3 t-105 -54.65 -65.94 0.49 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.773 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.719 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 2.0 tm-20 -59.46 -42.89 93.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.306 -172.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.51 -43.93 76.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.252 0.549 . . . . 0.0 110.537 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 53.7 mt-10 -74.13 -34.48 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.522 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 67' ' ' TRP . 96.8 t -59.15 -43.43 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -58.4 -43.53 88.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.68 -10.52 59.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.011 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.7 mt -74.55 127.38 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -62.37 167.32 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -31.26 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.604 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.85 -47.31 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.737 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.93 -29.21 61.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 83' ' ' VAL . 54.0 mttp -67.0 -35.6 80.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -64.62 -33.62 76.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.299 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.92 -39.77 90.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 109.732 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.55 -35.51 80.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.626 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG22 HG11 ' A' ' 53' ' ' VAL . 87.4 t -69.53 -22.68 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.253 0.549 . . . . 0.0 110.748 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.178 0.513 . . . . 0.0 110.498 178.301 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -109.95 112.74 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -111.28 140.46 45.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.942 HG21 ' HE1' ' A' ' 67' ' ' TRP . 16.0 t -126.42 99.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.088 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HE2' ' HG1' ' A' ' 25' ' ' THR . 48.2 p90 -98.49 146.65 25.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.8 tt -123.25 114.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.875 0.845 . . . . 0.0 109.543 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.5 mt -105.8 135.45 47.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.503 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.29 127.29 35.18 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.34 177.65 8.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.637 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.78 -26.0 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.334 0.588 . . . . 0.0 109.961 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.9 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.708 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.33 46.95 2.85 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.001 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -120.24 135.28 55.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.953 0.406 . . . . 0.0 110.139 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -97.96 126.17 43.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.044 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.5 t80 -93.63 108.51 20.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.361 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.516 HG21 HG11 ' A' ' 71' ' ' VAL . 7.0 m -83.03 106.45 14.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -99.38 108.51 3.57 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.226 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -93.01 101.21 13.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.564 ' HG1' ' HE2' ' A' ' 11' ' ' TYR . 93.1 m -104.8 122.52 45.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.231 0.538 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 171.55 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.455 -0.181 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.4 -58.67 7.01 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.485 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -60.82 -37.51 82.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.436 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -65.57 -56.8 10.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.62 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -61.34 -35.98 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.446 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.18 -60.4 3.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.724 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.67 -27.44 69.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.621 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -59.9 -60.5 3.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.79 -59.58 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -167.027 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -117.75 129.79 55.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.005 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.3 tp -69.68 122.72 19.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 111.244 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.544 ' HB ' HG23 ' A' ' 12' ' ' ILE . 44.9 t -91.88 -61.1 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.716 176.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.63 167.73 26.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.661 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.406 ' OG1' HD11 ' A' ' 52' ' ' LEU . 38.9 m -150.57 130.26 13.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.092 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -118.64 156.98 28.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.867 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.96 132.37 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 52.8 m-85 -133.45 125.02 18.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.2 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 5.6 Cg_exo -78.56 -11.36 15.66 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.762 2.308 . . . . 0.0 111.588 176.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -94.73 118.66 32.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -176.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -60.27 -48.55 81.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.53 -43.42 90.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.832 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 86.9 tt0 -62.6 -49.26 75.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.47 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -65.23 -33.15 75.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.355 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.5 ttm -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.73 -37.72 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.251 0.548 . . . . 0.0 109.97 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.942 ' HE1' HG21 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -59.77 -59.83 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.464 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.495 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 9.6 tt0 -48.62 -48.79 39.14 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.369 0.668 . . . . 0.0 111.471 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -55.14 -42.78 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.929 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.589 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mm-40 -62.05 -40.32 95.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.368 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.637 ' HA ' ' CD1' ' A' ' 74' ' ' LEU . 39.2 t -59.41 -35.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.532 . . . . 0.0 111.102 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 89.7 mttt -70.48 -27.74 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.422 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -81.3 -31.09 33.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.637 ' CD1' ' HA ' ' A' ' 71' ' ' VAL . 67.7 mt -49.65 124.43 9.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.298 -173.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 m -75.71 -174.57 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.739 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.85 -46.91 78.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.56 0.219 . . . . 0.0 111.35 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -66.56 -38.24 86.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.383 -176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 15.2 mttm -65.06 -41.98 94.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 74' ' ' LEU . 97.9 mttt -64.32 -39.72 94.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.115 0.483 . . . . 0.0 110.009 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.57 -38.65 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -60.99 -36.61 79.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.713 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.8 mt -69.59 -32.09 70.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.292 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.56 -34.96 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.004 174.384 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 16.0 m-70 -96.28 109.54 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.551 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.9 111.57 23.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.835 0.35 . . . . 0.0 111.625 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.7 t -90.85 111.38 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 169.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.439 ' HB3' HG22 ' A' ' 55' ' ' THR . 44.9 p90 -124.51 133.73 53.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.583 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.7 tt -117.63 116.03 50.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.818 0.818 . . . . 0.0 109.422 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 52' ' ' LEU . 96.2 mt -112.13 129.16 56.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.434 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.706 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 34.6 tt0 -82.73 127.46 33.45 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -84.47 169.63 14.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.378 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -60.49 -30.92 70.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.449 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -70.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.193 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.83 -26.07 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.6 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 t -70.54 140.04 51.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.973 0.416 . . . . 0.0 111.486 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.473 ' HB3' HD11 ' A' ' 12' ' ' ILE . 48.3 m0 -91.52 122.69 34.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.8 t80 -95.85 104.68 16.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 -174.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 m -87.45 96.86 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.134 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.06 162.85 17.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.125 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -138.55 114.54 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -126.87 140.41 52.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.937 0.398 . . . . 0.0 110.092 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.406 HG21 ' CE1' ' A' ' 8' ' ' HIS . 50.7 m . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.269 0.557 . . . . 0.0 111.88 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.535 0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.31 -32.1 71.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.184 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -49.68 -59.7 3.55 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.497 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 35.5 ttt180 -76.05 -46.32 29.79 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.704 -167.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 tt -60.98 -46.87 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.26 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.3 -43.45 98.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.254 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.17 -33.19 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -77.71 -39.09 45.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.64 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.401 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.268 -178.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HD3' ' OE2' ' A' ' 14' ' ' GLU . 3.9 ptm180 -141.49 130.39 23.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 173.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.609 HD11 HG23 ' A' ' 55' ' ' THR . 57.5 tp -74.76 125.44 28.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 39.8 t -90.32 -54.64 7.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.28 154.03 22.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.609 HG23 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -134.09 127.82 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.658 177.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -116.54 129.97 56.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.96 109.58 18.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 110.936 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 51.8 m-85 -112.71 126.3 28.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -78.15 -14.15 15.15 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.947 1.765 . . . . 0.0 111.6 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 6.9 m -89.78 124.97 35.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.798 -174.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 28.4 ttpp -61.18 -50.31 73.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.751 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 18.0 mp0 -55.27 -48.9 73.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.668 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 10.4 mm-40 -59.66 -58.04 10.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.707 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -67.13 -41.3 86.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.5 ttp -62.91 -40.99 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.066 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 14.5 ttp180 -69.03 -44.63 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.405 175.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.507 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -55.05 -48.29 73.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.73 -177.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HG2' ' HE2' ' A' ' 72' ' ' LYS . 31.9 tt0 -58.59 -52.94 63.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.333 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.92 -31.19 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.615 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 88.9 mt-10 -69.33 -61.06 1.94 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 74' ' ' LEU . 39.8 t -59.9 -24.4 29.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 111.262 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HE2' ' HG2' ' A' ' 68' ' ' GLU . 11.4 tppt? -63.61 -45.97 87.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.348 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.28 3.57 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.981 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.638 HD22 ' HG2' ' A' ' 78' ' ' LYS . 44.8 mt -74.95 -177.88 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -147.79 178.9 8.11 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.55 -53.8 6.7 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 112.431 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' A' ' 77' ' ' ARG . 14.2 ttm180 -61.68 -46.17 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.821 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.638 ' HG2' HD22 ' A' ' 74' ' ' LEU . 39.0 tptt -74.35 -31.63 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.581 0.705 . . . . 0.0 110.148 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -70.24 -31.61 69.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.012 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.08 -41.92 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.24 -37.86 67.74 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.239 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.5 -37.94 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.323 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 15.6 m120 . . . . . 0 CA--C 1.515 -0.399 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 81.8 m-70 -91.19 96.17 10.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.003 0.43 . . . . 0.0 110.688 -172.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 56' ' ' TRP . 87.7 m-85 -104.01 111.09 23.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 38.6 t -85.27 114.2 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.45 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 33.6 p90 -110.53 140.51 44.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.95 0.405 . . . . 0.0 110.512 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.9 tt -121.78 104.54 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.988 0.899 . . . . 0.0 109.351 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.58 133.23 44.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.027 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 36.0 tt0 -84.5 107.04 16.53 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.42 162.07 29.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.277 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -60.61 -32.28 71.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.28 -3.69 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.204 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.73 6.43 57.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.44 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -89.39 121.39 31.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.767 0.283 . . . . 0.0 110.72 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.759 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 28.9 m0 -76.44 124.82 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 175.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 19.8 t80 -90.94 102.23 15.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.394 -172.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -103.99 111.66 24.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.971 0.415 . . . . 0.0 111.774 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.51 154.4 24.17 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB3' HG22 ' A' ' 10' ' ' VAL . 35.0 p90 -107.68 145.39 33.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.808 0.804 . . . . 0.0 111.469 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.45 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 4.8 t -99.79 139.26 35.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.957 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.701 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.634 ' HA ' HG22 ' A' ' 32' ' ' ILE . 17.4 m-20 -72.04 -7.83 51.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.824 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -55.26 -51.11 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.558 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -69.24 -48.67 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.59 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.634 HG22 ' HA ' ' A' ' 29' ' ' ASP . 9.7 tt -61.12 -34.42 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.419 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -60.36 -47.65 85.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.972 0.415 . . . . 0.0 110.258 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -61.04 -37.77 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.501 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -61.65 -46.78 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.31 87.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.255 0.55 . . . . 0.0 111.209 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.264 -179.531 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 51.3 p90 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.586 0.708 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HE ' ' C ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -103.2 179.79 4.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.192 167.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.89 127.82 47.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 43.5 t -96.23 -54.62 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.438 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.47 166.45 33.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -143.84 130.88 20.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.8 m-90 -108.95 152.59 24.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.58 115.59 14.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.716 0.293 . . . . 0.0 111.149 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 50.2 m-85 -126.14 134.59 26.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.49 -20.11 11.11 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.453 2.102 . . . . 0.0 112.213 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 50.2 m -88.43 127.8 35.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.275 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -61.55 -44.57 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.224 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.85 -37.27 87.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.675 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 6.8 tp10 -64.02 -46.92 82.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.168 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.474 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 68.8 mtm -64.74 -43.37 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.376 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -60.43 -51.02 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.677 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 23.4 t90 -55.82 -54.88 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.846 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.676 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 24.6 tt0 -60.17 -42.81 95.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.283 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.56 -51.34 67.42 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.981 -1.008 . . . . 0.0 111.401 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.74 -52.36 64.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.366 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 74' ' ' LEU . 95.1 t -57.31 -34.88 47.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 98.0 mttt -70.35 -47.26 61.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.14 -10.28 59.78 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.437 0.637 . . . . 0.0 110.875 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.793 ' HB3' ' CG ' ' A' ' 78' ' ' LYS . 3.8 mt -66.34 141.36 58.01 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.337 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 19.6 m -77.25 153.13 34.28 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.457 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -29.39 -47.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.65 -15.84 43.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.267 0.556 . . . . 0.0 110.641 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.793 ' CG ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -64.41 -40.16 95.24 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.165 176.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HE3' ' HB2' ' A' ' 20' ' ' TRP . 16.0 tttp -75.98 -33.81 59.75 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -172.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.48 -43.13 91.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.645 172.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -74.12 -42.09 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 67' ' ' TRP . 19.0 tp -54.04 -47.13 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.12 -35.35 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.065 0.459 . . . . 0.0 111.155 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 0.0 110.637 179.286 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -125.45 129.51 49.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.858 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -116.59 140.91 48.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 4.2 t -107.59 115.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -111.45 143.75 41.79 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.15 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.4 tt -119.69 114.27 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.725 0.774 . . . . 0.0 109.126 174.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD21 ' HD1' ' A' ' 50' ' ' PHE . 7.0 tp -102.07 132.51 47.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.669 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 35.3 tt0 -91.26 120.07 31.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.652 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.17 170.78 9.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.492 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -46.26 -53.31 10.91 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.64 18.39 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.32 13.87 70.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.714 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -78.0 93.89 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.732 0.301 . . . . 0.0 110.295 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 12' ' ' ILE . 15.5 m0 -76.84 122.72 25.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 61.0 t80 -101.13 110.22 22.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 m -86.84 95.42 9.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.632 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.37 173.71 15.25 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.925 -173.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 67.6 t80 -111.71 141.34 45.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.702 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 26' ' ' THR . 51.9 m -150.79 145.47 25.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.089 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 25' ' ' THR . 1.5 m . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.913 0.387 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 32' ' ' ILE . 30.4 t70 -64.25 -39.35 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.31 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' NH1' HG21 ' A' ' 26' ' ' THR . 22.6 ttm180 -59.22 -40.99 87.56 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.052 171.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -73.49 -49.27 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.307 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' ASP . 14.1 tt -61.56 -47.3 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.555 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.73 -38.07 86.57 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.783 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.58 -36.81 72.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.476 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -68.76 -43.59 75.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.998 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.6 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.019 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 177.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.602 ' HD1' HD21 ' A' ' 13' ' ' LEU . 85.4 m-85 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.335 0.112 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -119.46 116.51 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 tp -81.85 110.94 17.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.833 0.349 . . . . 0.0 110.42 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 12' ' ' ILE . 18.3 t -79.57 -49.48 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.62 164.27 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.6 m -144.87 123.97 12.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.784 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -106.12 125.51 51.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.6 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.93 123.92 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.264 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 87.9 m-85 -128.52 117.48 19.9 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 16.1 Cg_exo -70.57 -4.67 15.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.759 2.306 . . . . 0.0 112.403 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -111.92 131.65 55.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.772 0.32 . . . . 0.0 110.675 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 23.0 pttp -62.2 -32.52 73.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.248 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -62.99 -51.19 67.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.139 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.06 -41.34 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.771 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.37 -48.69 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.385 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 63.9 mtt -66.49 -42.63 87.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.086 0.469 . . . . 0.0 110.842 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 66' ' ' ARG . 20.9 ttt180 -70.5 -45.96 64.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.268 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 34.5 t90 -59.53 -52.76 64.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 24' ' ' TYR . 17.6 tt0 -58.75 -48.27 81.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.438 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -52.6 -51.38 60.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.912 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 33.0 tt0 -59.78 -51.87 67.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.085 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 74' ' ' LEU . 81.1 t -61.78 -39.18 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.522 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -61.98 -30.99 71.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.469 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -96.17 4.7 52.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.31 . . . . 0.0 111.242 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' HD3' ' A' ' 78' ' ' LYS . 66.0 mt -83.15 155.71 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.418 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -74.56 159.06 32.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.79 -36.43 67.37 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.835 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 77' ' ' ARG . 9.3 ttp180 -62.0 -40.56 96.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.849 -175.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.615 ' HD3' HD22 ' A' ' 74' ' ' LEU . 53.2 tttp -82.92 -29.26 29.31 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.697 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.313 0.578 . . . . 0.0 109.569 173.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -39.76 84.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.764 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.422 ' HB3' ' HA ' ' A' ' 78' ' ' LYS . 33.6 tt0 -52.83 -48.9 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.55 -34.68 71.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.701 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.18 -36.81 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.423 . . . . 0.0 110.273 176.698 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.458 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 49.5 m-70 -129.51 110.78 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -96.95 146.01 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -172.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.4 t -120.89 111.83 33.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.142 169.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 54.8 p90 -108.38 146.86 32.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.135 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.552 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -129.1 115.68 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.752 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 52' ' ' LEU . 79.6 mt -112.66 127.23 56.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.856 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 32.6 tt0 -80.36 112.07 17.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.715 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 m -95.66 154.89 16.98 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -60.18 -19.36 53.69 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.422 0.63 . . . . 0.0 110.534 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.82 -1.06 20.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.323 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.77 8.05 73.8 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.45 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -119.29 148.53 43.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.405 ' HB3' HG12 ' A' ' 12' ' ' ILE . 10.0 m0 -92.33 126.24 37.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 175.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 73.3 t80 -91.57 101.55 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -93.11 108.3 19.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.726 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 134.49 7.85 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.337 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 20.5 t80 -82.08 135.43 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 172.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 96.0 m -144.58 131.38 20.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.19 173.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 32' ' ' ILE . 9.7 p . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 5.3 p-10 -54.57 -45.63 73.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -72.89 -37.13 67.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.12 -59.96 4.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.058 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 28' ' ' VAL . 14.3 tt -62.11 -40.41 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.208 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 37.2 tttm -61.31 -55.11 35.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.196 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.53 -39.49 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.771 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.93 -43.39 83.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.187 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.218 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.927 178.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 40.2 ttt180 -116.61 127.49 54.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 HD11 ' OG1' ' A' ' 55' ' ' THR . 56.0 tp -81.41 110.54 16.94 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.262 -173.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.552 ' HB ' HG23 ' A' ' 12' ' ' ILE . 30.1 t -85.77 -45.45 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.698 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.37 158.32 7.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.474 ' OG1' HD11 ' A' ' 52' ' ' LEU . 99.7 m -152.76 127.43 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.965 174.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.752 ' HZ2' ' CH2' ' A' ' 67' ' ' TRP . 6.5 p90 -142.69 -178.39 5.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.655 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.6 42.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 90.9 m-85 -129.5 141.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.344 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 6.8 Cg_exo -74.22 -22.85 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.456 2.104 . . . . 0.0 112.201 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -96.97 127.84 43.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 0.0 111.393 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 4.6 tmmm? -60.77 -47.88 84.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.274 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.87 -52.4 62.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.285 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.74 -43.78 92.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.901 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.78 97.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.4 ttm -68.45 -47.38 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.511 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -57.74 -46.36 84.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.752 ' CH2' ' HZ2' ' A' ' 56' ' ' TRP . 19.9 t90 -55.59 -53.56 54.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.02 -177.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -51.25 -57.65 8.26 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.324 0.583 . . . . 0.0 110.501 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 66.9 t80 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.29 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.66 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 37.0 tt0 -59.69 -44.24 93.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.612 0.244 . . . . 0.0 110.536 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 67' ' ' TRP . 88.1 t -70.12 -41.46 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.643 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 14.0 ptmm? -71.69 -14.47 62.04 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.202 0.525 . . . . 0.0 110.216 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 12.0 t-160 -95.19 -12.91 25.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 76.3 mt -72.12 162.77 28.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.204 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 t -70.92 156.77 39.19 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -59.23 -29.82 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.978 -174.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -68.59 -40.28 80.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.896 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 74' ' ' LEU . 14.3 mptt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -61.96 -44.11 97.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.277 0.56 . . . . 0.0 110.134 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.8 -42.95 90.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.793 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -60.91 -40.97 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.363 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.24 -41.42 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.95 -34.68 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 110.673 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 109.868 174.472 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.605 0.717 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 76.5 t60 -84.37 131.32 34.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.799 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -115.33 122.79 46.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.303 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.472 HG11 ' CE3' ' A' ' 67' ' ' TRP . 47.2 t -95.69 94.88 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HD1' ' CD1' ' A' ' 13' ' ' LEU . 54.5 p90 -108.6 137.81 45.93 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.805 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 20' ' ' TRP . 15.3 tt -121.58 123.11 68.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.482 0.658 . . . . 0.0 110.657 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD1' ' HD1' ' A' ' 11' ' ' TYR . 11.1 mp -107.46 123.17 48.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.803 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.88 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 36.1 tt0 -80.37 112.79 18.04 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 170.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.44 159.84 32.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -52.48 -31.28 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.0 111.024 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.96 -25.37 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.48 -2.0 27.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -83.26 127.68 33.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.554 ' HB3' HD11 ' A' ' 12' ' ' ILE . 50.3 m0 -88.76 112.71 23.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.453 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 77.5 t80 -95.1 116.94 29.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.651 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 m -86.33 110.82 19.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.913 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.19 138.09 13.67 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.914 -176.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CD2' ' HE1' ' A' ' 8' ' ' HIS . 34.1 t80 -104.15 117.17 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.268 -0.466 . . . . 0.0 109.878 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 t -139.73 139.72 36.6 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.031 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.402 178.52 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.565 0.222 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HA ' HG22 ' A' ' 32' ' ' ILE . 23.2 t70 -63.99 -44.79 91.61 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.888 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -54.39 -46.24 73.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.715 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -70.15 -51.43 31.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.241 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 29' ' ' ASP . 16.5 tt -62.58 -35.38 69.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.504 0.192 . . . . 0.0 111.454 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.82 -49.55 77.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 110.854 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 30.7 mmtp -61.7 -29.13 69.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.497 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.91 -45.98 66.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.889 0.376 . . . . 0.0 110.427 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.66 -57.84 10.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.113 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.606 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 p90 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 121.259 0.552 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.88 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 2.4 tpp180 -111.73 106.15 14.86 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.77 105.62 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 12' ' ' ILE . 40.5 t -80.74 -58.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.149 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.38 163.26 40.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.274 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -148.82 119.02 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.816 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 28.6 m-90 -105.27 128.66 53.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 8' ' ' HIS . . . -107.97 124.58 50.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.781 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 81.3 m-85 -133.18 127.62 20.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.614 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 76.5 Cg_endo -92.66 21.7 0.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.196 2.597 . . . . 0.0 112.882 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 m -119.99 138.63 53.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.037 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -60.33 -57.74 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.711 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.68 -48.1 82.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.779 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 tp10 -56.6 -46.04 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.275 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.08 65.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.321 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 44.4 ttm -63.39 -48.22 78.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.82 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.7 ttm-85 -65.05 -44.02 90.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.404 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -55.5 -52.19 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.37 -176.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -60.43 -54.7 42.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.585 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 67.8 t80 -58.71 -40.23 83.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.959 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 tt0 -64.28 -49.37 72.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.512 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 77.1 t -60.82 -34.15 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.025 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 31.5 mmtp -52.51 -43.86 65.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.127 0.489 . . . . 0.0 110.906 175.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -90.58 -3.48 57.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.282 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 47.1 mt -73.41 133.89 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.963 0.411 . . . . 0.0 110.669 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.5 t -75.72 166.87 22.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.42 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 14.3 ptt180 -48.99 -45.65 42.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.263 0.352 . . . . 0.0 111.657 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' ARG . 17.1 tpt180 -70.72 -28.47 64.75 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.064 -174.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HG2' HD22 ' A' ' 74' ' ' LEU . 18.0 tptm -78.74 -27.86 44.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.925 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.1 -38.04 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 50.8 mt-10 -65.84 -38.36 88.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.977 173.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.86 -41.15 95.34 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.44 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.48 -38.82 92.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.135 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -70.79 -18.16 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.278 0.561 . . . . 0.0 110.098 175.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.368 0.604 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 16.1 m120 -99.85 113.05 25.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.478 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -104.87 106.79 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.555 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 7' ' ' ASN . 92.3 m-85 -117.86 112.07 19.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.281 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.615 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 20.7 t -84.52 113.27 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.661 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 40.8 p90 -105.85 136.54 45.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.4 tt -121.19 115.5 46.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.849 0.833 . . . . 0.0 109.279 174.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 50' ' ' PHE . 94.9 mt -111.43 127.06 55.56 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.805 -174.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.679 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.7 tt0 -77.65 117.75 19.36 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -81.23 174.29 11.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.708 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -53.31 -32.24 47.94 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.675 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.91 -19.66 36.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.531 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.86 -4.32 39.16 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.044 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -89.31 124.38 34.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.15 0.5 . . . . 0.0 110.731 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 76.0 t80 -91.77 116.12 28.63 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.316 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.4 m -103.42 130.2 50.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.741 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' HA2' ' OE2' ' A' ' 68' ' ' GLU . . . -175.69 136.81 3.48 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HB3' HG22 ' A' ' 10' ' ' VAL . 4.2 p90 -101.98 137.13 40.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.536 0.668 . . . . 0.0 111.029 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.661 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 13.3 t -100.51 153.08 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 48.1 m -152.05 74.76 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 0.0 110.979 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.16 127.26 26.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.6 -24.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.585 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -54.36 -47.01 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.236 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -58.05 -37.84 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.692 0.282 . . . . 0.0 111.728 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -66.05 -58.53 5.29 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.112 0.482 . . . . 0.0 110.825 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 tt -61.49 -35.55 67.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -58.48 -44.94 89.53 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.543 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.16 -42.5 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -67.58 -44.0 79.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.599 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.06 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.37 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 m -69.85 -33.19 71.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.41 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.94 -23.69 52.1 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.078 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 92.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 0.0 110.252 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.78 32.39 15.3 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.899 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.16 167.05 23.32 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 117.034 0.417 . . . . 0.0 110.999 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -112.26 160.19 17.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 110.835 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -57.96 -34.14 69.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.854 0.862 . . . . 0.0 112.097 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 m -61.32 111.57 1.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -161.0 118.11 2.32 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.581 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.89 170.07 20.84 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' GLY . 49.1 ptt85 -158.61 -47.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.411 . . . . 0.0 111.274 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' ARG . . . 139.55 -172.72 23.16 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -93.14 19.21 37.48 Favored 'Cis proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.663 -1.391 . . . . 0.0 111.793 -2.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.629 ' HB3' HD13 ' A' ' 13' ' ' LEU . 74.8 m-85 -78.97 106.98 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.622 -178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.679 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 49.4 ttt180 -92.91 114.11 26.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.406 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -72.24 116.31 12.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.142 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 12' ' ' ILE . 37.5 t -86.54 -47.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.95 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.11 171.48 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.502 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 m -140.47 127.98 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -114.03 115.01 26.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.711 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.29 126.01 49.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.658 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 80.7 m-85 -125.43 120.54 24.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.815 0.34 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 10.3 Cg_exo -72.72 -9.26 23.66 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.005 2.47 . . . . 0.0 111.538 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m -97.62 136.05 38.57 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.972 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.38 -57.97 10.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.577 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -38.17 90.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.355 -172.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HA ' ' HG2' ' A' ' 66' ' ' ARG . 72.5 mm-40 -62.26 -37.56 85.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.632 0.253 . . . . 0.0 110.813 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.91 79.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.42 -42.77 82.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.178 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 63' ' ' GLU . 9.3 ptm180 -73.58 -34.12 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.308 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.615 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 5.3 t90 -63.57 -53.58 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.538 ' OE2' ' HA2' ' A' ' 23' ' ' GLY . 7.5 tp10 -51.13 -55.3 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.386 174.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.43 -39.27 72.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.138 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' HIS . 20.9 mm-40 -76.05 -36.19 59.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG21 ' CZ3' ' A' ' 67' ' ' TRP . 60.8 t -70.72 -27.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.317 0.579 . . . . 0.0 109.936 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -71.69 -28.09 63.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.877 170.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -77.42 -46.69 21.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.187 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 78' ' ' LYS . 1.8 pp -71.51 150.57 44.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.37 0.605 . . . . 0.0 112.336 -172.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -76.95 178.6 6.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -59.22 -42.42 90.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 -178.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.47 -42.4 87.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.14 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 74' ' ' LEU . 82.8 tttt -79.02 -28.37 43.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -62.95 -39.87 95.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.555 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 51.3 mt-10 -64.74 -44.57 89.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.263 175.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 80.7 mm-40 -60.95 -36.5 79.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.977 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -45.46 89.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.586 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.5 t -73.35 -27.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.451 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.3 m -68.97 -23.07 64.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.609 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 81' ' ' GLN . 88.6 mt -76.93 -39.02 52.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.221 176.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -163.16 119.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 138.65 -15.76 3.35 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -26.0 146.76 0.01 OUTLIER Glycine 0 C--N 1.342 0.866 0 O-C-N 124.653 0.855 . . . . 0.0 115.073 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -27.8 56.3 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.163 2.575 . . . . 0.0 113.196 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -71.79 -31.58 66.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.495 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.13 -8.2 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.675 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.425 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER -69.87 -40.33 75.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.792 178.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.7 p 47.94 36.2 5.87 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.099 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.4 m -68.19 -69.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.545 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' H ' HD22 ' A' ' 96' ' ' LEU . 37.0 ttpt -170.73 -66.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.203 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.423 HD22 ' H ' ' A' ' 95' ' ' LYS . 2.8 mm? 61.79 -86.76 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.06 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.1 p -157.53 12.52 0.22 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.223 0.535 . . . . 0.0 110.473 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 m -92.93 132.9 36.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.022 -175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 177.287 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.47 ' HG3' ' OG1' ' A' ' 26' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -81.04 126.41 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.227 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' HA ' ' HB ' ' A' ' 26' ' ' THR . 21.8 m-70 -92.06 119.69 31.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.487 ' HE2' ' H ' ' A' ' 27' ' ' ASP . 10.3 m-85 -102.4 127.85 49.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -173.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 t -109.52 107.34 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 23' ' ' GLY . 34.2 p90 -112.89 130.35 56.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.304 0.573 . . . . 0.0 111.521 -176.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 20' ' ' TRP . 8.5 mm -104.83 115.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.075 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.38 126.36 55.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.741 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 39.7 tt0 -89.9 115.98 27.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.286 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -90.68 178.64 6.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.296 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.599 ' HB3' ' HG2' ' A' ' 49' ' ' PRO . 18.5 pttp -53.17 -34.85 58.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.999 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.94 -13.13 61.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.293 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 9.96 85.1 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 -169.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -93.17 141.87 27.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.745 -0.728 . . . . 0.0 109.085 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.6 m0 -102.21 125.83 49.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -175.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -91.62 122.47 34.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.354 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -95.99 98.88 10.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -97.16 146.5 18.31 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.446 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.423 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 45.4 t80 -134.67 123.36 23.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.431 HG23 ' HD2' ' A' ' 9' ' ' TYR . 13.7 t -147.87 162.01 40.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 175.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.659 ' HB ' ' HA ' ' A' ' 8' ' ' HIS . 7.3 t -153.56 90.45 1.41 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 0.0 110.439 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' H ' ' HE2' ' A' ' 9' ' ' TYR . 1.8 p30 -136.62 140.45 42.83 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.727 -175.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p -64.98 -12.75 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.645 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HA ' HG22 ' A' ' 32' ' ' ILE . 12.2 t70 -67.62 -39.64 84.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 -173.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.5 ttt-85 -54.27 -37.87 65.21 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.099 0.476 . . . . 0.0 110.859 173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 31' ' ' ARG . 6.6 mmt180 -66.41 -55.01 17.83 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.434 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 29' ' ' ASP . 13.9 tt -61.93 -31.68 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.963 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -60.8 -41.03 94.84 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.049 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -56.59 -46.05 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.211 0.529 . . . . 0.0 110.192 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -66.89 -51.04 60.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.831 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.25 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.068 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -75.5 -22.31 57.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.15 -15.25 36.13 Favored Glycine 0 N--CA 1.449 -0.467 0 O-C-N 123.476 0.485 . . . . 0.0 113.898 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -62.22 -51.07 69.27 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.03 0.415 . . . . 0.0 110.132 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.36 -18.63 41.49 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.471 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 73.73 -40.3 0.46 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.273 1.029 . . . . 0.0 112.664 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -148.01 164.87 32.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.657 0.265 . . . . 0.0 111.178 -173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.36 118.01 6.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 167.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -53.06 -75.69 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 O-C-N 123.712 0.633 . . . . 0.0 111.984 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 45' ' ' ARG . 29.1 mtp85 44.13 -129.39 0.9 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.11 0.564 . . . . 0.0 112.101 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.24 -91.36 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 67.66 102.61 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.398 0.618 . . . . 0.0 111.061 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 49' ' ' PRO . . . -162.19 -161.72 12.42 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.253 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.599 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 9.7 Cg_endo -89.61 105.31 0.55 Allowed 'Cis proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.575 -1.427 . . . . 0.0 112.121 -0.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.66 101.64 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.392 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' GLU . 29.7 mtm180 -94.85 112.66 24.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.31 119.68 13.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.022 0.439 . . . . 0.0 110.341 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.61 HG13 ' HD3' ' A' ' 86' ' ' LYS . 55.7 t -86.58 -54.55 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.25 164.15 39.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 m -153.84 128.18 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.109 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -119.17 157.85 27.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.78 112.01 8.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 57.7 m-85 -117.1 129.47 25.31 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.061 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 7.5 Cg_exo -73.09 -16.4 25.43 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.708 2.272 . . . . 0.0 112.091 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 13.4 m -85.4 124.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 82.0 tttt -61.05 -54.51 43.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.272 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -66.12 -33.04 74.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.41 -174.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 30.9 tt0 -68.52 -42.46 78.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.069 -178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.18 74.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.5 tpp -62.16 -47.44 84.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 110.102 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.43 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.413 ' CZ3' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -56.96 -59.44 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.675 -176.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.85 -53.55 55.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.921 0.391 . . . . 0.0 110.425 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 88.4 t80 -54.74 -52.78 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.585 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 42.2 mt-10 -63.47 -44.97 92.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.341 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.571 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.4 t -63.58 -36.32 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.042 0.449 . . . . 0.0 110.687 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' TYR . 56.7 tttp -54.76 -41.92 71.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.628 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.492 ' NE2' ' HA ' ' A' ' 70' ' ' GLU . 33.8 p80 -100.73 8.02 43.52 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 71' ' ' VAL . 16.8 mt -62.07 153.66 29.16 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.042 0.449 . . . . 0.0 111.009 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -75.61 164.84 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.647 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -56.73 -36.3 69.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.986 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.1 ttt85 -68.28 -42.38 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.374 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HG3' HD22 ' A' ' 74' ' ' LEU . 1.5 mmtm -67.11 -39.59 86.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.532 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.59 -40.95 98.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.64 -33.51 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.667 0.27 . . . . 0.0 110.312 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.91 -41.91 97.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.112 0.482 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.625 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.568 HG22 HG11 ' A' ' 53' ' ' VAL . 42.2 t -85.15 -4.28 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.273 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.7 m -71.47 4.41 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.235 0.541 . . . . 0.0 110.363 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.1 mt -109.64 14.43 23.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.402 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.61 ' HD3' HG13 ' A' ' 53' ' ' VAL . 23.7 tptm -44.11 122.23 2.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.465 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.9 -39.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.18 -147.58 1.75 Allowed Glycine 0 C--N 1.335 0.475 0 O-C-N 124.484 0.755 . . . . 0.0 114.148 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.512 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 55.5 Cg_endo -97.88 -163.98 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.888 3.058 . . . . 0.0 112.645 176.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.45 65.33 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.455 0.645 . . . . 0.0 109.821 176.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 89' ' ' PRO . 4.6 mm-40 -82.59 -114.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.773 -173.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 53.32 36.25 22.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.234 0.54 . . . . 0.0 109.752 -165.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.2 p -128.64 -27.01 2.65 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.7 m -73.37 75.67 1.38 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.709 0.766 . . . . 0.0 111.968 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 20.3 ttmm -170.28 28.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 172.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.4 mt 63.75 -79.95 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.377 -171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 m -174.15 25.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 64.79 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.923 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 176.104 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.447 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.372 0.606 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 123.33 21.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -100.26 103.87 15.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.944 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -107.4 128.09 54.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.319 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.784 HG21 ' NE1' ' A' ' 67' ' ' TRP . 48.2 t -102.97 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 174.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -103.8 128.67 51.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 20' ' ' TRP . 18.7 tt -107.21 111.14 34.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.679 0.752 . . . . 0.0 109.252 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 52' ' ' LEU . 1.8 tp -92.76 141.16 28.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.787 -176.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 27.0 tt0 -90.07 122.85 33.43 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 170.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -102.16 166.36 10.64 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 123.448 0.468 . . . . 0.0 110.95 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -60.2 -20.52 59.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.226 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -86.23 -2.4 58.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.53 -0.7 89.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.901 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -90.28 127.09 36.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 110.357 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 12' ' ' ILE . 25.0 m0 -79.23 117.84 20.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 80.0 t80 -95.5 106.89 19.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.361 -175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 99.59 8.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.005 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.54 139.11 14.47 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.619 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -102.45 112.27 24.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.815 0.341 . . . . 0.0 110.12 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.6 m -107.74 130.14 54.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 111.368 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 6' ' ' MET . 54.5 m -144.62 71.58 1.31 Allowed 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 7.0 m-20 -135.53 125.33 25.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.789 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 32' ' ' ILE . 59.7 t -61.75 -43.07 96.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -59.76 -38.95 83.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.588 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 27' ' ' ASP . 11.3 mmt180 -56.05 -49.12 74.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.321 0.581 . . . . 0.0 111.004 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -68.69 -52.3 32.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.261 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 28' ' ' VAL . 11.2 tt -61.86 -53.39 48.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -61.47 -49.22 77.64 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.19 -32.74 72.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.61 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.76 -50.83 61.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.01 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.345 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 96' ' ' LEU . 35.6 m -69.4 -29.62 67.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.74 -65.92 2.4 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.37 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 65.7 tttt 47.89 -97.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.429 0.692 . . . . 0.0 112.397 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' A' ' 39' ' ' LYS . . . -102.53 120.65 6.89 Favored Glycine 0 C--N 1.334 0.46 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.23 97.84 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.0 112.005 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -132.52 25.29 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' ' 95' ' ' LYS . 94.2 m-85 -112.35 -175.14 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.277 -174.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.961 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.5 t -163.41 -163.04 0.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.747 ' HG3' HG23 ' A' ' 44' ' ' THR . 82.9 mtt180 71.52 171.15 0.32 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.275 0.559 . . . . 0.0 110.961 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.98 146.4 16.46 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.71 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -67.2 -43.03 83.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 178.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.54 175.47 17.72 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.632 -0.795 . . . . 0.0 112.519 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.38 -31.24 5.41 Favored 'Cis proline' 0 C--O 1.237 0.446 0 C-N-CA 123.272 -1.553 . . . . 0.0 112.261 -1.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.77 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.15 -175.53 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.441 -172.254 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -143.7 -179.87 6.72 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -162.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 13' ' ' LEU . 53.6 tp -78.02 148.43 34.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.764 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.612 ' O ' ' HD3' ' A' ' 89' ' ' PRO . 37.8 t -110.39 -54.24 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.0 166.77 27.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.485 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 46.9 m -153.12 136.62 15.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.31 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -125.58 165.52 18.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.744 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.76 133.8 29.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.626 0.25 . . . . 0.0 110.765 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 74.9 m-85 -130.82 131.66 23.41 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.357 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 21.6 Cg_exo -66.85 -22.01 49.76 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.789 2.326 . . . . 0.0 112.939 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -118.77 132.54 56.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.864 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' MET . 21.9 pttp -62.08 -30.37 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.844 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -61.05 -50.36 73.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.54 . . . . 0.0 110.538 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' TRP . 7.0 mm-40 -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.304 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.18 91.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.66 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 68.5 mtm -65.47 -43.64 89.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.512 -177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 66' ' ' ARG . 43.3 mtm180 -68.05 -40.86 82.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 109.866 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.784 ' NE1' HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -55.48 -57.81 10.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.665 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.81 -44.83 86.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.822 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.37 -45.35 80.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.442 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 60.9 mt-10 -62.39 -45.74 91.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.583 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 86.6 t -60.48 -39.21 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.327 0.584 . . . . 0.0 110.842 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 72' ' ' LYS . 27.0 ttmt -63.31 -25.98 68.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.166 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -100.33 6.69 44.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.067 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 78' ' ' LYS . 49.4 mt -81.09 143.65 32.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.046 0.45 . . . . 0.0 111.466 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -76.51 176.11 8.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.763 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 12.1 ptm180 -58.58 -43.87 89.6 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.532 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.6 ptt180 -64.5 -26.08 68.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -86.85 -39.31 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.327 -178.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.56 -42.58 91.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 109.813 175.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.85 -34.47 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.653 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -62.99 -50.42 70.81 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -40.58 80.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.616 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.71 -48.81 28.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.02 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.8 t -68.88 -15.28 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.326 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.1 tp -71.17 -47.49 57.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.296 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -76.68 158.59 30.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.315 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.43 31.08 6.29 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.691 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.18 178.17 2.4 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 121.762 -0.256 . . . . 0.0 113.079 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.612 ' HD3' ' O ' ' A' ' 53' ' ' VAL . 60.3 Cg_endo -96.31 171.86 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.459 2.773 . . . . 0.0 111.884 172.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -88.62 -68.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.55 -153.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.562 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.961 ' HB3' ' HA ' ' A' ' 44' ' ' THR . 57.5 m-80 71.77 31.32 2.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.919 0.866 . . . . 0.0 108.877 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.2 p -83.6 34.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.37 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -65.82 90.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.062 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 96' ' ' LEU . 21.9 pttm -170.74 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.613 171.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.573 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 31.7 mt 56.13 76.52 0.28 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.356 175.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.0 m -91.18 63.6 5.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.627 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 t -101.27 -11.29 19.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.443 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.299 . . . . 0.0 110.889 -177.25 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 5.5 p30 -96.06 112.35 24.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 111.003 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -111.69 97.26 6.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.401 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 98.4 m-85 -96.03 136.67 36.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.832 HG21 ' HE1' ' A' ' 67' ' ' TRP . 10.6 t -116.36 98.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.547 175.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -100.25 127.44 46.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -108.97 110.9 33.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.771 0.796 . . . . 0.0 109.377 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 52' ' ' LEU . 74.6 mt -99.58 134.75 42.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.7 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 34.3 tt0 -95.09 133.79 38.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.38 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -86.18 179.01 7.01 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -60.8 -30.82 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 168.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.42 166.57 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.892 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.61 37.86 1.87 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.582 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -119.18 128.35 54.16 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.448 ' NE1' HG21 ' A' ' 53' ' ' VAL . 2.1 m-90 -97.71 144.59 27.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.959 0.409 . . . . 0.0 111.247 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -108.61 103.62 12.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.686 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -88.62 107.04 18.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.71 116.86 5.53 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.37 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.719 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . 57.3 t80 -96.0 108.04 20.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 9' ' ' TYR . 8.9 t -119.3 134.08 55.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.427 0.632 . . . . 0.0 111.857 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 12.1 m -129.15 72.34 1.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -135.82 100.02 4.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.075 -165.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -61.59 -44.32 98.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.1 -47.38 61.93 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.779 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 48.1 ttt180 -54.87 -50.75 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.723 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -63.37 -56.67 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.357 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.38 -40.53 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.191 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 33' ' ' LYS . 35.7 ttmt -61.54 -41.44 97.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.154 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 31.6 mmmt -60.69 -34.93 75.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -76.41 -44.4 36.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.432 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -60.12 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.021 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.8 m -74.55 -29.04 61.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.327 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.0 -11.9 84.41 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.371 -173.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 111.85 4.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.115 0.457 . . . . 0.0 110.022 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.42 -51.79 0.83 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.18 129.86 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.585 0.707 . . . . 0.0 112.469 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -82.08 -12.67 58.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.487 ' O ' HG22 ' A' ' 44' ' ' THR . 80.8 t80 70.11 -74.71 0.08 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.127 0.892 . . . . 0.0 111.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 43' ' ' TYR . 2.9 t 50.8 -170.6 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.284 1.034 . . . . 0.0 112.257 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 45' ' ' ARG . 8.0 tpt180 -123.84 129.25 50.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.97 -98.63 0.17 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.245 -0.979 . . . . 0.0 113.065 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 64.48 26.38 13.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 110.319 -174.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.3 -179.16 41.06 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.209 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.65 14.9 45.77 Favored 'Cis proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.551 -1.437 . . . . 0.0 112.282 -0.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 79.8 m-85 -78.31 101.9 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.0 mtm-85 -95.75 123.53 39.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.22 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 13' ' ' LEU . 56.3 tp -75.01 109.63 8.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.031 0.443 . . . . 0.0 109.948 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG11 HG22 ' A' ' 83' ' ' VAL . 38.9 t -79.76 -64.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.394 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.25 153.23 45.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -133.88 110.81 9.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.164 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -99.23 151.34 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.6 14.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -111.81 132.04 22.13 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.134 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.98 -3.23 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.736 2.291 . . . . 0.0 112.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.497 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . 18.9 m -117.11 129.11 55.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.581 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -60.22 -56.36 22.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.908 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' HB3' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.35 -33.2 75.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -173.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -56.55 -53.7 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 67' ' ' TRP . . . -70.22 -22.81 62.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.453 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.8 ttm -69.07 -51.83 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -65.54 -39.23 91.53 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.832 ' HE1' HG21 ' A' ' 10' ' ' VAL . 1.3 t-105 -54.65 -65.94 0.49 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.773 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.719 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 2.0 tm-20 -59.46 -42.89 93.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.306 -172.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.51 -43.93 76.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-O 121.252 0.549 . . . . 0.0 110.537 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 53.7 mt-10 -74.13 -34.48 63.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.522 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 67' ' ' TRP . 96.8 t -59.15 -43.43 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -58.4 -43.53 88.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.68 -10.52 59.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.011 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 66.7 mt -74.55 127.38 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -62.37 167.32 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -31.26 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.604 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.85 -47.31 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.737 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.93 -29.21 61.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' 83' ' ' VAL . 54.0 mttp -67.0 -35.6 80.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -64.62 -33.62 76.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.299 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.92 -39.77 90.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 109.732 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.55 -35.51 80.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.626 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG22 HG11 ' A' ' 53' ' ' VAL . 87.4 t -69.53 -22.68 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.253 0.549 . . . . 0.0 110.748 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 m -76.75 -9.89 58.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.178 0.513 . . . . 0.0 110.498 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -87.06 -14.88 40.24 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 56.9 tttp -71.54 143.91 49.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.44 48.59 3.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.71 165.54 0.38 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 113.913 0.325 . . . . 0.0 113.913 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -80.46 83.39 2.24 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.414 2.076 . . . . 0.0 111.576 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -163.18 104.77 0.99 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 74.27 142.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.634 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.01 27.56 14.99 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 109.189 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 t -94.19 -7.77 41.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.421 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.5 p -103.05 -96.4 0.3 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.328 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? 58.36 14.8 3.09 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.677 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 96' ' ' LEU . 2.9 mm? -73.68 77.63 1.53 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 110.142 175.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.9 p -72.81 90.82 1.45 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.268 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 p -56.79 137.04 55.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.991 -172.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.113 -179.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 56.7 mtt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.61 124.52 29.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.022 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -109.95 112.74 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -111.28 140.46 45.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.942 HG21 ' HE1' ' A' ' 67' ' ' TRP . 16.0 t -126.42 99.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.088 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HE2' ' HG1' ' A' ' 25' ' ' THR . 48.2 p90 -98.49 146.65 25.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.8 tt -123.25 114.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.875 0.845 . . . . 0.0 109.543 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.5 mt -105.8 135.45 47.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.503 -175.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.29 127.29 35.18 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.34 177.65 8.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.637 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 64.5 tttp -61.78 -26.0 67.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.334 0.588 . . . . 0.0 109.961 173.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.9 173.64 6.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.708 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.33 46.95 2.85 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.001 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -120.24 135.28 55.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.953 0.406 . . . . 0.0 110.139 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -97.96 126.17 43.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.95 0.405 . . . . 0.0 110.044 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.5 t80 -93.63 108.51 20.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.361 -174.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.516 HG21 HG11 ' A' ' 71' ' ' VAL . 7.0 m -83.03 106.45 14.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.446 177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 11' ' ' TYR . . . -99.38 108.51 3.57 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.226 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -93.01 101.21 13.54 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.564 ' HG1' ' HE2' ' A' ' 11' ' ' TYR . 93.1 m -104.8 122.52 45.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.231 0.538 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 m -123.53 68.74 1.02 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 171.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.616 ' HB3' ' H ' ' A' ' 30' ' ' ARG . 2.8 m-20 -134.61 100.24 4.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.934 -171.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.38 -28.41 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 163.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.4 -58.67 7.01 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.485 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.616 ' H ' ' HB3' ' A' ' 27' ' ' ASP . 36.2 ttm-85 -60.82 -37.51 82.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.436 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -65.57 -56.8 10.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.62 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -61.34 -35.98 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.446 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.18 -60.4 3.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.724 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HG3' ' HA3' ' A' ' 38' ' ' GLY . 88.6 tttt -62.67 -27.44 69.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.621 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -59.9 -60.5 3.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.79 -59.58 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -94.17 -33.47 13.3 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -167.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.554 ' HA3' ' HG3' ' A' ' 34' ' ' LYS . . . -65.08 -31.54 81.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.081 -169.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -51.84 -62.77 1.42 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 111.898 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.12 45.57 1.35 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.609 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.45 -78.54 0.14 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.688 -0.301 . . . . 0.0 110.692 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt 52.93 71.68 0.47 Allowed 'General case' 0 CA--C 1.529 0.135 0 O-C-N 123.926 0.766 . . . . 0.0 109.8 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -72.22 -41.57 66.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.182 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 t -81.54 112.3 18.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.549 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -130.98 75.82 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.971 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.23 -42.94 48.76 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 47' ' ' ARG . 5.1 tpt85 68.0 17.09 9.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.815 0.817 . . . . 0.0 109.502 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.8 177.04 25.15 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.816 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB2' ' HB2' ' A' ' 16' ' ' LYS . 84.6 Cg_endo -90.04 5.06 68.83 Favored 'Cis proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.379 -1.509 . . . . 0.0 112.342 -2.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -79.11 124.28 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.417 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -117.75 129.79 55.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.005 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 13' ' ' LEU . 59.3 tp -69.68 122.72 19.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 111.244 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.544 ' HB ' HG23 ' A' ' 12' ' ' ILE . 44.9 t -91.88 -61.1 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.716 176.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.63 167.73 26.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.661 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.406 ' OG1' HD11 ' A' ' 52' ' ' LEU . 38.9 m -150.57 130.26 13.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.092 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -118.64 156.98 28.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.867 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.96 132.37 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 52.8 m-85 -133.45 125.02 18.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.2 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 5.6 Cg_exo -78.56 -11.36 15.66 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.762 2.308 . . . . 0.0 111.588 176.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -94.73 118.66 32.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.639 -176.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -60.27 -48.55 81.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.833 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.53 -43.42 90.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.832 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 60' ' ' SER . 86.9 tt0 -62.6 -49.26 75.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.47 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -65.23 -33.15 75.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.355 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.5 ttm -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.676 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.73 -37.72 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.251 0.548 . . . . 0.0 109.97 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.942 ' HE1' HG21 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -59.77 -59.83 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.464 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.495 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 9.6 tt0 -48.62 -48.79 39.14 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.369 0.668 . . . . 0.0 111.471 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -55.14 -42.78 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.929 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.589 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.7 mm-40 -62.05 -40.32 95.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.368 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.637 ' HA ' ' CD1' ' A' ' 74' ' ' LEU . 39.2 t -59.41 -35.84 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.532 . . . . 0.0 111.102 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 89.7 mttt -70.48 -27.74 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.422 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -81.3 -31.09 33.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.637 ' CD1' ' HA ' ' A' ' 71' ' ' VAL . 67.7 mt -49.65 124.43 9.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.298 -173.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 m -75.71 -174.57 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.739 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.85 -46.91 78.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.56 0.219 . . . . 0.0 111.35 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -66.56 -38.24 86.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.383 -176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 15.2 mttm -65.06 -41.98 94.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.0 110.992 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 74' ' ' LEU . 97.9 mttt -64.32 -39.72 94.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.115 0.483 . . . . 0.0 110.009 176.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.57 -38.65 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -60.99 -36.61 79.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.713 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 82' ' ' LEU . 13.8 mt -69.59 -32.09 70.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.292 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.56 -34.96 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.4 t -71.58 -18.81 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.004 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.3 tp -89.61 -0.97 57.87 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -57.28 135.94 56.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.666 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.48 63.83 2.96 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.309 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.66 -135.32 49.5 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.89 -43.52 15.8 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.073 1.849 . . . . 0.0 111.174 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 88.5 t80 168.33 -32.13 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.054 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -142.14 175.02 10.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -71.36 -5.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.3 p 56.21 81.85 0.12 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.588 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -71.01 79.18 0.65 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.959 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 61.1 tttt -121.18 12.68 11.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.213 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.6 mt 73.57 -4.43 2.23 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.079 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.1 p -77.26 -54.09 6.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.397 0.618 . . . . 0.0 109.765 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -90.81 104.23 16.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.917 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.445 -176.508 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.4 mtm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -87.83 120.41 29.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.787 0.327 . . . . 0.0 110.483 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 61' ' ' LYS . 16.0 m-70 -96.28 109.54 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.551 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.9 111.57 23.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.835 0.35 . . . . 0.0 111.625 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.7 t -90.85 111.38 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 169.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' HB3' HG22 ' A' ' 55' ' ' THR . 44.9 p90 -124.51 133.73 53.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.583 HG23 ' HB ' ' A' ' 53' ' ' VAL . 13.7 tt -117.63 116.03 50.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.818 0.818 . . . . 0.0 109.422 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 52' ' ' LEU . 96.2 mt -112.13 129.16 56.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.434 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.706 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 34.6 tt0 -82.73 127.46 33.45 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -84.47 169.63 14.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.378 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -60.49 -30.92 70.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.449 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -70.52 0.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.193 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.617 ' HA2' ' CE ' ' A' ' 95' ' ' LYS . . . 179.83 -26.07 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.6 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 t -70.54 140.04 51.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.973 0.416 . . . . 0.0 111.486 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.473 ' HB3' HD11 ' A' ' 12' ' ' ILE . 48.3 m0 -91.52 122.69 34.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 78.8 t80 -95.85 104.68 16.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 -174.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 m -87.45 96.86 10.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.134 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.06 162.85 17.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.125 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -138.55 114.54 10.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -126.87 140.41 52.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.937 0.398 . . . . 0.0 110.092 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.406 HG21 ' CE1' ' A' ' 8' ' ' HIS . 50.7 m -145.22 78.46 1.55 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.269 0.557 . . . . 0.0 111.88 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 30' ' ' ARG . 3.8 p-10 -136.51 144.53 44.34 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.385 169.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.95 -29.22 45.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.826 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.31 -32.1 71.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.184 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HG2' ' OD1' ' A' ' 27' ' ' ASP . 35.4 mmt180 -49.68 -59.7 3.55 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.497 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 35.5 ttt180 -76.05 -46.32 29.79 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.704 -167.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 tt -60.98 -46.87 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.26 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.3 -43.45 98.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.254 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.17 -33.19 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -77.71 -39.09 45.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.623 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.64 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.401 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 m -82.59 -22.04 34.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.268 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.76 5.17 71.02 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.595 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -68.22 104.66 1.88 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.62 -53.24 0.66 Allowed Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 61.95 32.92 17.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 112.033 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -68.44 113.87 6.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.416 ' HB3' ' H ' ' A' ' 45' ' ' ARG . 1.4 m-85 -130.98 -174.74 3.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 111.777 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 4.8 m -106.76 6.76 29.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.647 -1.161 . . . . 0.0 109.432 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' THR . 76.7 mtt85 69.5 171.99 0.3 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.292 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.63 127.48 5.44 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.335 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.8 mpt_? -115.21 -3.7 12.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.32 173.91 29.46 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.198 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -88.56 28.25 13.17 Favored 'Cis proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.841 -1.316 . . . . 0.0 112.189 -2.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -146.0 152.93 40.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HD3' ' OE2' ' A' ' 14' ' ' GLU . 3.9 ptm180 -141.49 130.39 23.09 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 173.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD11 HG23 ' A' ' 55' ' ' THR . 57.5 tp -74.76 125.44 28.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 39.8 t -90.32 -54.64 7.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB2' ' HD2' ' A' ' 86' ' ' LYS . . . -160.28 154.03 22.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.609 HG23 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -134.09 127.82 32.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.658 177.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -116.54 129.97 56.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -113.96 109.58 18.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 110.936 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 51.8 m-85 -112.71 126.3 28.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -78.15 -14.15 15.15 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 121.947 1.765 . . . . 0.0 111.6 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 6.9 m -89.78 124.97 35.11 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.798 -174.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 28.4 ttpp -61.18 -50.31 73.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.751 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 18.0 mp0 -55.27 -48.9 73.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.668 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 10.4 mm-40 -59.66 -58.04 10.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.707 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 58' ' ' PHE . . . -67.13 -41.3 86.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.5 ttp -62.91 -40.99 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.112 0.482 . . . . 0.0 110.066 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 14.5 ttp180 -69.03 -44.63 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.405 175.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.507 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -55.05 -48.29 73.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.73 -177.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HG2' ' HE2' ' A' ' 72' ' ' LYS . 31.9 tt0 -58.59 -52.94 63.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.333 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.92 -31.19 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.615 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 88.9 mt-10 -69.33 -61.06 1.94 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' ' 74' ' ' LEU . 39.8 t -59.9 -24.4 29.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.018 0.437 . . . . 0.0 111.262 178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.503 ' HE2' ' HG2' ' A' ' 68' ' ' GLU . 11.4 tppt? -63.61 -45.97 87.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.348 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.28 3.57 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.981 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.638 HD22 ' HG2' ' A' ' 78' ' ' LYS . 44.8 mt -74.95 -177.88 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 t -147.79 178.9 8.11 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.55 -53.8 6.7 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 112.431 -169.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HE ' ' HB2' ' A' ' 77' ' ' ARG . 14.2 ttm180 -61.68 -46.17 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.821 -176.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.638 ' HG2' HD22 ' A' ' 74' ' ' LEU . 39.0 tptt -74.35 -31.63 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.581 0.705 . . . . 0.0 110.148 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -70.24 -31.61 69.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.012 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.08 -41.92 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.52 ' HG2' HD13 ' A' ' 85' ' ' LEU . 11.8 tt0 -55.8 -37.31 68.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.24 -37.86 67.74 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.239 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.5 -37.94 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -57.06 -37.25 71.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 81' ' ' GLN . 8.0 mp -67.43 -27.34 66.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.221 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HD2' ' HB2' ' A' ' 54' ' ' ALA . 64.9 tttp -75.34 -32.37 60.87 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.195 176.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.73 -26.11 0.45 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.95 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.54 -131.48 49.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.611 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.89 109.1 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.846 2.364 . . . . 0.0 112.152 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -65.21 -37.22 86.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 109.673 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -167.06 73.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' C ' ' H ' ' A' ' 94' ' ' THR . 95.8 m-20 67.14 -61.03 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.568 -168.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 p 61.13 -12.59 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.958 1.303 . . . . 0.0 114.272 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 92' ' ' ASN . 29.8 m 73.98 134.12 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' CE ' ' HA2' ' A' ' 18' ' ' GLY . 55.4 tttm 74.32 87.99 0.09 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.509 169.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 97' ' ' SER . 3.9 mm? -90.64 10.79 24.31 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.446 167.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 70.8 m 76.22 167.22 0.26 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.579 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.7 p -81.18 179.07 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.662 -174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.161 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 33.8 mtt . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.054 0.454 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 15.6 m120 -105.69 107.03 17.81 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 81.8 m-70 -91.19 96.17 10.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.003 0.43 . . . . 0.0 110.688 -172.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 56' ' ' TRP . 87.7 m-85 -104.01 111.09 23.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 38.6 t -85.27 114.2 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.45 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 33.6 p90 -110.53 140.51 44.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.95 0.405 . . . . 0.0 110.512 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 21' ' ' TYR . 14.9 tt -121.78 104.54 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.988 0.899 . . . . 0.0 109.351 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.58 133.23 44.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.027 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 36.0 tt0 -84.5 107.04 16.53 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.42 162.07 29.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.277 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 55.2 tttp -60.61 -32.28 71.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.484 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.28 -3.69 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.204 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.73 6.43 57.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.44 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -89.39 121.39 31.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.767 0.283 . . . . 0.0 110.72 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.759 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 28.9 m0 -76.44 124.82 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 175.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 19.8 t80 -90.94 102.23 15.0 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.394 -172.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -103.99 111.66 24.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.971 0.415 . . . . 0.0 111.774 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.51 154.4 24.17 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB3' HG22 ' A' ' 10' ' ' VAL . 35.0 p90 -107.68 145.39 33.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.808 0.804 . . . . 0.0 111.469 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.45 ' HB ' ' HE2' ' A' ' 11' ' ' TYR . 4.8 t -99.79 139.26 35.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.957 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -154.09 57.89 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -136.48 152.11 50.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.732 -173.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.9 p -61.58 -22.07 27.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.634 ' HA ' HG22 ' A' ' 32' ' ' ILE . 17.4 m-20 -72.04 -7.83 51.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.824 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -55.26 -51.11 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.558 177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -69.24 -48.67 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.59 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.634 HG22 ' HA ' ' A' ' 29' ' ' ASP . 9.7 tt -61.12 -34.42 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.419 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -60.36 -47.65 85.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.972 0.415 . . . . 0.0 110.258 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -61.04 -37.77 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.501 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -61.65 -46.78 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.31 87.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.255 0.55 . . . . 0.0 111.209 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m -76.3 -10.73 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.264 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.1 7.54 10.1 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.443 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? 73.34 77.48 0.14 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.484 0.659 . . . . 0.0 109.249 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.53 -141.21 8.52 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.285 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 61.2 -91.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.183 0.593 . . . . 0.0 111.813 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -122.21 114.03 20.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 0.0 110.345 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -83.85 121.08 26.85 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.713 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -158.44 15.03 0.2 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 42.18 -156.25 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.9 0.88 . . . . 0.0 112.188 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 31.89 74.6 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.297 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -97.2 73.37 2.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.649 . . . . 0.0 109.948 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.23 -161.22 27.9 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.747 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HB2' ' HB2' ' A' ' 16' ' ' LYS . 72.3 Cg_endo -104.47 28.91 8.9 Favored 'Cis proline' 0 N--CA 1.456 -0.704 0 CA-C-N 118.985 1.393 . . . . 0.0 111.899 -4.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' C ' ' HE ' ' A' ' 51' ' ' ARG . 51.3 p90 -79.8 148.13 31.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.586 0.708 . . . . 0.0 112.578 -171.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HE ' ' C ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -103.2 179.79 4.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.192 167.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.89 127.82 47.7 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' A' ' 12' ' ' ILE . 43.5 t -96.23 -54.62 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.438 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.47 166.45 33.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -143.84 130.88 20.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.8 m-90 -108.95 152.59 24.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.041 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.58 115.59 14.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.716 0.293 . . . . 0.0 111.149 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 50.2 m-85 -126.14 134.59 26.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.49 -20.11 11.11 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.453 2.102 . . . . 0.0 112.213 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 63' ' ' GLU . 50.2 m -88.43 127.8 35.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.147 0.499 . . . . 0.0 111.275 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -61.55 -44.57 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.224 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.85 -37.27 87.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.675 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 60' ' ' SER . 6.8 tp10 -64.02 -46.92 82.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.168 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.474 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 68.8 mtm -64.74 -43.37 93.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.376 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -60.43 -51.02 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.677 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 23.4 t90 -55.82 -54.88 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.846 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.676 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 24.6 tt0 -60.17 -42.81 95.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.283 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.56 -51.34 67.42 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.981 -1.008 . . . . 0.0 111.401 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.74 -52.36 64.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.366 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 74' ' ' LEU . 95.1 t -57.31 -34.88 47.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HE3' ' HG2' ' A' ' 68' ' ' GLU . 98.0 mttt -70.35 -47.26 61.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -79.14 -10.28 59.78 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.437 0.637 . . . . 0.0 110.875 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.793 ' HB3' ' CG ' ' A' ' 78' ' ' LYS . 3.8 mt -66.34 141.36 58.01 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.337 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 19.6 m -77.25 153.13 34.28 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.457 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -29.39 -47.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -61.65 -15.84 43.29 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.267 0.556 . . . . 0.0 110.641 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.793 ' CG ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -64.41 -40.16 95.24 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.165 176.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HE3' ' HB2' ' A' ' 20' ' ' TRP . 16.0 tttp -75.98 -33.81 59.75 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -172.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -65.48 -43.13 91.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.645 172.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -74.12 -42.09 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 67' ' ' TRP . 19.0 tp -54.04 -47.13 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.12 -35.35 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.065 0.459 . . . . 0.0 111.155 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -69.68 -18.67 63.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 0.0 110.637 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tt -88.11 -17.79 30.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.364 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -161.95 97.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 140.62 -21.9 2.7 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.9 146.55 0.04 OUTLIER Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.069 -0.566 . . . . 0.0 114.071 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.656 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 90.3 Cg_endo -85.31 93.13 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.857 2.372 . . . . 0.0 112.98 -178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -81.02 -24.7 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.935 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -101.74 -14.78 17.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.141 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -87.53 34.72 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.543 0.687 . . . . 0.0 109.367 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.9 p -65.97 -32.47 73.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.317 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -141.78 143.74 33.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.464 -1.244 . . . . 0.0 108.434 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 61.4 tttp -90.01 -0.26 57.49 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 95' ' ' LYS . 7.3 mp 69.77 -80.63 0.04 OUTLIER 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -174.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.4 m -159.71 -73.98 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.4 t -171.66 150.18 2.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 110.491 177.786 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.414 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 23.2 mmt . . . . . 0 C--O 1.235 0.317 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 1.126 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 17.4 m-80 -90.73 148.45 22.58 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -125.45 129.51 49.96 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.858 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.765 ' CE2' ' HA ' ' A' ' 27' ' ' ASP . 90.3 m-85 -116.59 140.91 48.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 4.2 t -107.59 115.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -111.45 143.75 41.79 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.15 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.4 tt -119.69 114.27 43.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-O 121.725 0.774 . . . . 0.0 109.126 174.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD21 ' HD1' ' A' ' 50' ' ' PHE . 7.0 tp -102.07 132.51 47.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.669 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 35.3 tt0 -91.26 120.07 31.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.652 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.17 170.78 9.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.492 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' H ' ' HD2' ' A' ' 49' ' ' PRO . 49.2 tttm -46.26 -53.31 10.91 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -175.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.64 18.39 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.32 13.87 70.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.714 176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -78.0 93.89 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.732 0.301 . . . . 0.0 110.295 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 12' ' ' ILE . 15.5 m0 -76.84 122.72 25.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 61.0 t80 -101.13 110.22 22.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.422 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.8 m -86.84 95.42 9.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.632 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.37 173.71 15.25 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.925 -173.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 67.6 t80 -111.71 141.34 45.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.702 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 26' ' ' THR . 51.9 m -150.79 145.47 25.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.089 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.656 HG22 ' H ' ' A' ' 27' ' ' ASP . 1.5 m -73.59 -176.89 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.126 ' HB3' ' HB2' ' A' ' 7' ' ' ASN . 1.8 p30 -66.44 147.46 53.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.406 0.622 . . . . 0.0 111.316 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.24 -23.08 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.526 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 32' ' ' ILE . 30.4 t70 -64.25 -39.35 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.31 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' NH1' HG21 ' A' ' 26' ' ' THR . 22.6 ttm180 -59.22 -40.99 87.56 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.052 171.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -73.49 -49.27 27.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.307 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' ASP . 14.1 tt -61.56 -47.3 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.555 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.73 -38.07 86.57 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.783 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.58 -36.81 72.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.476 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -68.76 -43.59 75.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.998 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.6 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.019 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 m -68.76 -32.19 71.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.82 -22.26 64.34 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.541 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 69.81 -65.94 0.29 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.56 0.744 . . . . 0.0 111.63 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.95 -67.5 1.9 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.797 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.07 89.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.211 0.604 . . . . 0.0 111.986 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.49 142.22 44.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.896 0.379 . . . . 0.0 110.689 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -72.04 97.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.61 0.719 . . . . 0.0 111.435 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -112.68 99.38 7.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 45' ' ' ARG . 24.0 mtp85 -85.66 164.73 17.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.705 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.58 -128.41 0.52 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.026 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 47' ' ' ARG . 16.1 tpt180 -107.12 -71.98 0.74 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.476 -0.426 . . . . 0.0 110.159 178.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.99 -175.31 15.77 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.135 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HD2' ' H ' ' A' ' 16' ' ' LYS . 15.9 Cg_exo -70.88 161.06 90.27 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.673 -1.386 . . . . 0.0 112.164 -4.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.602 ' HD1' HD21 ' A' ' 13' ' ' LEU . 85.4 m-85 -115.8 100.06 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.097 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -119.46 116.51 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.5 tp -81.85 110.94 17.62 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.833 0.349 . . . . 0.0 110.42 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 12' ' ' ILE . 18.3 t -79.57 -49.48 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.62 164.27 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.6 m -144.87 123.97 12.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.784 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -106.12 125.51 51.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.6 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.93 123.92 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.264 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 87.9 m-85 -128.52 117.48 19.9 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 16.1 Cg_exo -70.57 -4.67 15.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.759 2.306 . . . . 0.0 112.403 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -111.92 131.65 55.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.772 0.32 . . . . 0.0 110.675 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 23.0 pttp -62.2 -32.52 73.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.248 175.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -62.99 -51.19 67.81 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.139 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.06 -41.34 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.771 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.37 -48.69 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.385 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' LYS . 63.9 mtt -66.49 -42.63 87.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.086 0.469 . . . . 0.0 110.842 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 66' ' ' ARG . 20.9 ttt180 -70.5 -45.96 64.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.268 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' HG11 ' A' ' 10' ' ' VAL . 34.5 t90 -59.53 -52.76 64.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 24' ' ' TYR . 17.6 tt0 -58.75 -48.27 81.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.438 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -52.6 -51.38 60.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.912 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 33.0 tt0 -59.78 -51.87 67.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.085 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 74' ' ' LEU . 81.1 t -61.78 -39.18 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.522 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -61.98 -30.99 71.31 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.469 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -96.17 4.7 52.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.31 . . . . 0.0 111.242 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' HD3' ' A' ' 78' ' ' LYS . 66.0 mt -83.15 155.71 23.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.418 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -74.56 159.06 32.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.79 -36.43 67.37 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.835 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 77' ' ' ARG . 9.3 ttp180 -62.0 -40.56 96.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.849 -175.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.615 ' HD3' HD22 ' A' ' 74' ' ' LEU . 53.2 tttp -82.92 -29.26 29.31 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.697 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.54 -45.33 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.313 0.578 . . . . 0.0 109.569 173.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -39.76 84.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.764 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.635 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 33.6 tt0 -52.83 -48.9 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 174.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.55 -34.68 71.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.701 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.18 -36.81 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 m -64.09 -25.87 68.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.423 . . . . 0.0 110.273 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 81' ' ' GLN . 95.8 mt -68.19 -21.86 64.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.004 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -76.7 67.4 2.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.148 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.48 0.83 71.57 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 172.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.66 171.86 1.09 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 114.823 -0.689 . . . . 0.0 112.759 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 90' ' ' TYR . 44.4 Cg_endo -73.83 -29.61 10.21 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.088 1.859 . . . . 0.0 111.758 176.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 89' ' ' PRO . 27.9 p90 -160.61 21.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.657 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 62.25 -80.22 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.618 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -169.85 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.536 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 p 51.51 22.53 1.55 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.84 0.856 . . . . 0.0 113.181 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 m -107.56 -3.03 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.274 0.559 . . . . 0.0 110.098 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt 68.69 4.75 4.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.455 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.0 mt 69.81 -64.45 0.35 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.582 0.753 . . . . 0.0 111.051 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.8 m 64.27 17.44 10.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.275 0.63 . . . . 0.0 111.293 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -115.77 129.58 56.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 178.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptp . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -85.1 152.97 23.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.596 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.458 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 49.5 m-70 -129.51 110.78 12.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -176.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -96.95 146.01 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -172.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.605 HG11 ' CZ3' ' A' ' 67' ' ' TRP . 23.4 t -120.89 111.83 33.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.142 169.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HE2' ' OG1' ' A' ' 25' ' ' THR . 54.8 p90 -108.38 146.86 32.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.135 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.552 HG23 ' HB ' ' A' ' 53' ' ' VAL . 16.9 tt -129.1 115.68 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.64 0.733 . . . . 0.0 109.752 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 52' ' ' LEU . 79.6 mt -112.66 127.23 56.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.856 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 32.6 tt0 -80.36 112.07 17.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.715 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 m -95.66 154.89 16.98 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -60.18 -19.36 53.69 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.422 0.63 . . . . 0.0 110.534 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.82 -1.06 20.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.323 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.77 8.05 73.8 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.45 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -119.29 148.53 43.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.405 ' HB3' HG12 ' A' ' 12' ' ' ILE . 10.0 m0 -92.33 126.24 37.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.817 175.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 73.3 t80 -91.57 101.55 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -93.11 108.3 19.92 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.726 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 134.49 7.85 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.337 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' A' ' 8' ' ' HIS . 20.5 t80 -82.08 135.43 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 172.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HE2' ' A' ' 11' ' ' TYR . 96.0 m -144.58 131.38 20.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.19 173.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -77.76 -178.31 5.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.819 -179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.653 ' H ' HG22 ' A' ' 26' ' ' THR . 3.7 t70 -69.02 -176.28 0.85 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.948 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 32' ' ' ILE . 9.7 p -55.89 -17.26 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.731 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 5.3 p-10 -54.57 -45.63 73.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.865 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -72.89 -37.13 67.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.12 -59.96 4.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.058 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 28' ' ' VAL . 14.3 tt -62.11 -40.41 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.208 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 37.2 tttm -61.31 -55.11 35.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.196 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.53 -39.49 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.771 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.93 -43.39 83.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.187 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.218 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m -69.08 -42.1 76.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.927 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.58 89.52 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.244 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.2 tttp 46.93 83.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.453 0.644 . . . . 0.0 111.181 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.42 -37.3 3.71 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.16 92.72 6.33 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 43.7 mtmt -91.59 -21.13 20.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.807 -174.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 93.9 m-85 69.64 114.82 0.04 OUTLIER 'General case' 0 C--O 1.231 0.109 0 O-C-N 124.447 1.092 . . . . 0.0 109.84 -173.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -77.62 38.59 0.25 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.159 -171.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 11.1 mtm180 70.94 -59.28 0.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.832 0.853 . . . . 0.0 112.182 174.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.53 -86.27 0.75 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -168.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.2 ttt-85 55.81 74.39 0.38 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.203 0.525 . . . . 0.0 112.315 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.53 140.78 6.91 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.644 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -92.77 129.3 5.72 Favored 'Cis proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.782 -1.341 . . . . 0.0 111.703 -6.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -144.14 130.2 19.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.127 0.489 . . . . 0.0 111.262 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 40.2 ttt180 -116.61 127.49 54.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 HD11 ' OG1' ' A' ' 55' ' ' THR . 56.0 tp -81.41 110.54 16.94 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.262 -173.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.552 ' HB ' HG23 ' A' ' 12' ' ' ILE . 30.1 t -85.77 -45.45 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.698 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.37 158.32 7.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.474 ' OG1' HD11 ' A' ' 52' ' ' LEU . 99.7 m -152.76 127.43 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.965 174.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.752 ' HZ2' ' CH2' ' A' ' 67' ' ' TRP . 6.5 p90 -142.69 -178.39 5.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.655 -177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.6 42.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 90.9 m-85 -129.5 141.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.344 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' PHE . 6.8 Cg_exo -74.22 -22.85 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.456 2.104 . . . . 0.0 112.201 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -96.97 127.84 43.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 0.0 111.393 -174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 4.6 tmmm? -60.77 -47.88 84.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.274 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.87 -52.4 62.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.285 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.74 -43.78 92.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.901 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.78 97.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.4 ttm -68.45 -47.38 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.511 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -57.74 -46.36 84.57 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.752 ' CH2' ' HZ2' ' A' ' 56' ' ' TRP . 19.9 t90 -55.59 -53.56 54.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.02 -177.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -51.25 -57.65 8.26 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.324 0.583 . . . . 0.0 110.501 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 66.9 t80 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.29 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.66 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 37.0 tt0 -59.69 -44.24 93.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.612 0.244 . . . . 0.0 110.536 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 67' ' ' TRP . 88.1 t -70.12 -41.46 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.643 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 69' ' ' TYR . 14.0 ptmm? -71.69 -14.47 62.04 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.202 0.525 . . . . 0.0 110.216 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 12.0 t-160 -95.19 -12.91 25.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.072 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 76.3 mt -72.12 162.77 28.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.204 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 t -70.92 156.77 39.19 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -59.23 -29.82 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.978 -174.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -68.59 -40.28 80.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.896 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HB3' HD13 ' A' ' 74' ' ' LEU . 14.3 mptt -71.05 -38.58 72.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -61.96 -44.11 97.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.277 0.56 . . . . 0.0 110.134 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.8 -42.95 90.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.793 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -60.91 -40.97 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.363 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.24 -41.42 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.95 -34.68 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 110.673 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.2 m -68.09 -25.26 65.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 109.868 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.06 16.65 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.272 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -55.39 156.1 4.71 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 172.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.23 28.89 1.67 Allowed Glycine 0 C--O 1.226 -0.362 0 CA-C-O 119.349 -0.695 . . . . 0.0 113.803 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -24.18 -108.67 0.0 OUTLIER Glycine 0 N--CA 1.47 0.927 0 C-N-CA 124.614 1.102 . . . . 0.0 115.646 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -89.59 18.48 1.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.908 2.405 . . . . 0.0 112.323 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -149.19 96.12 2.48 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 122.055 0.931 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.725 ' HG2' HD22 ' A' ' 92' ' ' ASN . 40.7 tt0 -72.25 162.22 29.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.883 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.725 HD22 ' HG2' ' A' ' 91' ' ' GLU . 0.9 OUTLIER 76.53 -38.45 0.32 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.981 0.912 . . . . 0.0 111.622 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 p 53.97 22.6 3.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.542 0.737 . . . . 0.0 112.835 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 t -72.62 100.73 2.86 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.778 0.799 . . . . 0.0 109.973 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -139.82 15.6 2.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.667 -176.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.47 90.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 O-C-N 124.226 0.954 . . . . 0.0 113.512 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 m -158.9 87.1 0.85 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.167 175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.4 m -151.6 -36.76 0.13 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.422 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 175.221 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' A' ' 59' ' ' PRO . 43.7 mtm . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.948 0.404 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -79.76 84.6 5.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.605 0.717 . . . . 0.0 109.887 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 57' ' ' ALA . 76.5 t60 -84.37 131.32 34.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.799 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -115.33 122.79 46.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.303 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG11 ' CE3' ' A' ' 67' ' ' TRP . 47.2 t -95.69 94.88 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HD1' ' CD1' ' A' ' 13' ' ' LEU . 54.5 p90 -108.6 137.81 45.93 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.805 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 20' ' ' TRP . 15.3 tt -121.58 123.11 68.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.482 0.658 . . . . 0.0 110.657 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD1' ' HD1' ' A' ' 11' ' ' TYR . 11.1 mp -107.46 123.17 48.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.803 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.88 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 36.1 tt0 -80.37 112.79 18.04 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 170.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.44 159.84 32.64 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -52.48 -31.28 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.0 111.024 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.96 -25.37 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.48 -2.0 27.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 t -83.26 127.68 33.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.554 ' HB3' HD11 ' A' ' 12' ' ' ILE . 50.3 m0 -88.76 112.71 23.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.453 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 77.5 t80 -95.1 116.94 29.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.651 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 m -86.33 110.82 19.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.913 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.19 138.09 13.67 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.914 -176.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CD2' ' HE1' ' A' ' 8' ' ' HIS . 34.1 t80 -104.15 117.17 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.268 -0.466 . . . . 0.0 109.878 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.0 t -139.73 139.72 36.6 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.031 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -148.34 76.74 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.402 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -135.54 111.2 9.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.04 0.448 . . . . 0.0 111.292 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 p -62.87 -36.39 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.904 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HA ' HG22 ' A' ' 32' ' ' ILE . 23.2 t70 -63.99 -44.79 91.61 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.888 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -54.39 -46.24 73.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.715 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -70.15 -51.43 31.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.241 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 29' ' ' ASP . 16.5 tt -62.58 -35.38 69.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.504 0.192 . . . . 0.0 111.454 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -60.82 -49.55 77.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 110.854 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 30.7 mmtp -61.7 -29.13 69.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.497 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -69.91 -45.98 66.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.889 0.376 . . . . 0.0 110.427 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.66 -57.84 10.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.113 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 m -85.64 -48.69 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.62 -45.65 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.956 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt 69.61 -64.68 0.33 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.39 0.676 . . . . 0.0 111.433 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.62 2.96 3.48 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.413 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.98 108.6 2.25 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 8.3 ptpp? -108.54 -168.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.848 -173.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -76.14 40.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.336 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 m -69.46 94.47 0.75 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.557 0.218 . . . . 0.0 111.006 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? 64.9 90.84 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.771 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.78 -159.72 32.75 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.636 176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.57 -61.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.581 ' HA2' ' CD1' ' A' ' 50' ' ' PHE . . . 116.87 -161.52 13.03 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.973 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -94.09 97.75 0.15 OUTLIER 'Cis proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.215 -1.577 . . . . 0.0 111.691 -1.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' HA2' ' A' ' 48' ' ' GLY . 38.2 p90 -139.03 136.73 35.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.259 0.552 . . . . 0.0 111.372 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.88 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 2.4 tpp180 -111.73 106.15 14.86 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 170.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.77 105.62 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 12' ' ' ILE . 40.5 t -80.74 -58.95 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.149 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.38 163.26 40.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.274 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -148.82 119.02 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.816 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 58' ' ' PHE . 28.6 m-90 -105.27 128.66 53.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 8' ' ' HIS . . . -107.97 124.58 50.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.781 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 81.3 m-85 -133.18 127.62 20.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.614 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 6' ' ' MET . 76.5 Cg_endo -92.66 21.7 0.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.196 2.597 . . . . 0.0 112.882 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 m -119.99 138.63 53.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.037 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -60.33 -57.74 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.711 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -58.68 -48.1 82.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.779 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 tp10 -56.6 -46.04 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.275 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.08 65.23 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.321 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 44.4 ttm -63.39 -48.22 78.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.82 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.7 ttm-85 -65.05 -44.02 90.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.404 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -55.5 -52.19 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.37 -176.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -60.43 -54.7 42.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.585 -179.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 67.8 t80 -58.71 -40.23 83.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.959 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 tt0 -64.28 -49.37 72.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.512 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 77.1 t -60.82 -34.15 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.025 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 69' ' ' TYR . 31.5 mmtp -52.51 -43.86 65.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.127 0.489 . . . . 0.0 110.906 175.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -90.58 -3.48 57.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.282 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 70' ' ' GLU . 47.1 mt -73.41 133.89 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.963 0.411 . . . . 0.0 110.669 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.5 t -75.72 166.87 22.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.42 177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 14.3 ptt180 -48.99 -45.65 42.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.263 0.352 . . . . 0.0 111.657 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' ARG . 17.1 tpt180 -70.72 -28.47 64.75 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.064 -174.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HG2' HD22 ' A' ' 74' ' ' LEU . 18.0 tptm -78.74 -27.86 44.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.925 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.1 -38.04 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 50.8 mt-10 -65.84 -38.36 88.67 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.977 173.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.86 -41.15 95.34 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.44 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.48 -38.82 92.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.135 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -70.79 -18.16 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 m -68.6 -5.95 22.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.278 0.561 . . . . 0.0 110.098 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.43 21.78 15.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.467 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 53' ' ' VAL . 4.6 tmtm? -159.81 140.16 11.92 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-O 121.284 0.564 . . . . 0.0 110.33 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.94 -33.68 5.48 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.184 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.28 -118.46 15.0 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.665 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -86.41 104.11 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.997 2.464 . . . . 0.0 113.608 -175.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -130.19 32.31 4.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.94 147.02 39.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.35 -168.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.4 t30 72.04 -50.98 0.7 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.775 0.83 . . . . 0.0 111.105 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -89.06 17.79 5.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.563 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -58.71 -68.59 0.25 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 54.9 tttm -163.32 19.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.712 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.6 mt 57.52 33.47 23.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.647 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.1 t -91.77 -72.34 0.59 Allowed 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 52.17 46.01 27.37 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.911 0.757 . . . . 0.0 110.205 174.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.829 -171.307 . . . . . . . . 0 0 . 1 stop_ save_